C24H32O4S | Cheminformatics
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S-[(7S,8R,9S,10S,13R,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

Formula:C24H32O4S Mutagenic:none Tumorigenic:none Reproductive Effective:high S-[(7S,8R,9S,10S,13R,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate is a drug-like molecule.
MolNameS-[(7S,8R,9S,10S,13R,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
MolecularFormulaC24H32O4S
SmilesC[C@@](CC[C@@H]1[C@](C)(CC2)C(C3)=CC2=O)([C@H](CC2)[C@@H]1[C@H]3SC(C)=O)[C@@]2(CC1)OC1=O
InChIInChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18+,19-,21+,22+,23+,24+/m0/s1
InChIKLXMSZDCAJNLERA-DQMSZBLNSA-N
TotalMolweight416.58
Molweight416.58
MonoisotopicMass416.20213
CLogP3.2098
CLogS-4.349
H Acceptors4
TotalSurfaceArea293.3
Relative PSA0.22711
PolarSurfaceArea85.74
Druglikeness-0.62033
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms5
Electronegative Atoms5
StereoCenters7
Rotatable Bond2
Rings Closures5
Small Rings5
Sp3Atoms21
StereoConthis enantiomer

Request More Details | S-[(7S,8R,9S,10S,13R,14R,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate


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