[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate
Formula:C22H32O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate is a drug-like molecule.
| MolName | [(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| MolecularFormula | C22H32O3 |
| Smiles | CCC(O[C@@H](CC1)[C@@](C)(CC2)C1C(CC1)C2[C@@](C)(CC2)C1=CC2=O)=O |
| InChI | InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16?,17?,18?,19-,21+,22+/m1/s1 |
| InChIK | PDMMFKSKQVNJMI-FYUNKSCTSA-N |
| TotalMolweight | 344.493 |
| Molweight | 344.493 |
| MonoisotopicMass | 344.235145 |
| CLogP | 4.4352 |
| CLogS | -4.741 |
| H Acceptors | 3 |
| TotalSurfaceArea | 261.15 |
| Relative PSA | 0.13816 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | 2.0301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Sp3Atoms | 19 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate | 2 - [(10R,13S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate
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