MMsINC Database Search


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MMsINC code: MMs02190818

Type: Neutral
Formula: C₁₅H₁₂N₂O₂S

SMILES:

S(=O)(=O)(Nc1cc2c(cc1)cncc2)c1ccccc1

InChI:

InChI=1/C15H12N2O2S/c18-20(19,15-4-2-1-3-5-15)17-14-7-6-13-11-16-9-8-12(13)10-14/h1-11,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2158 kcal/mol

Physical Properties
Molecular Weight: 284.339 g/mol	logS: -3.66646	SlogP: 3.0356	Reactive groups: 0

Topological Properties
Globularity: 0.223657	Sterimol/B1: 2.48942	Sterimol/B2: 3.25459	Sterimol/B3: 4.508
Sterimol/B4: 6.59106	Sterimol/L: 12.5066

Surface and Volume Properties
Accessible surface: 476.902	Positive charged surface: 265.354	Negative charged surface: 202.024	Volume: 257
Hydrophobic surface: 381.783	Hydrophilic surface: 95.119

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.