General
Preferred name
MISOPROSTOL ACID
Synonyms
misoprostol (free acid form) ()
SC-30695 ()
Misoprostolic acid ()
Misoprostol (free acid) ()
Misoprostol (free acid)-d5 ()
P&D ID
PD021154
CAS
66792-31-2
112137-89-0
1337917-44-8
Tags
drug candidate
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Active metabolite of the approved drug . (GtoPdb)
Compound Sets
3
Cayman Chemical Bioactives
10010333
13821
ChEMBL Drugs
CHEMBL1201377
Guide to Pharmacology
1935
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
368.26
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
13
Ring Count
1
Aromatic Ring Count
0
cLogP
3.87
TPSA
94.83
Fraction CSP3
0.81
Chiral centers
4.0
Largest ring
5.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data