2-[3-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
Formula:C30H24N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid is not a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid |
| MolecularFormula | C30H24N4O3S |
| Smiles | OC(Cn1c(cccc2)c2c(/C=C(/C(N2CCc3c[nH]c4c3cccc4)=O)\S/C2=N/c2ccccc2)c1)=O |
| InChI | InChI=1S/C30H24N4O3S/c35-28(36)19-33-18-21(24-11-5-7-13-26(24)33)16-27-29(37)34(30(38-27)32-22-8-2-1-3-9-22)15-14-20-17-31-25-12-6-4-10-23(20)25/h1-13,16-18,31H,14-15,19H2,(H,35,36) |
| InChIK | OXVPBXFCWIVAJF-UHFFFAOYSA-N |
| TotalMolweight | 520.612 |
| Molweight | 520.612 |
| MonoisotopicMass | 520.156911 |
| CLogP | 4.2223 |
| CLogS | -5.633 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 385.85 |
| Relative PSA | 0.23996 |
| PolarSurfaceArea | 115.99 |
| Druglikeness | -0.54231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid | 2 - 2-[3-[(Z)-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
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