MMsINC Database Search


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MMsINC code: MMs00070886

Type: Neutral
Formula: C₁₅H₁₄N₂O₂S

SMILES:

S(=O)(=O)(n1c2c(nc1)cccc2)c1cc(ccc1C)C

InChI:

InChI=1/C15H14N2O2S/c1-11-7-8-12(2)15(9-11)20(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6062 kcal/mol

Physical Properties
Molecular Weight: 286.355 g/mol	logS: -4.37993	SlogP: 2.89014	Reactive groups: 0

Topological Properties
Globularity: 0.175048	Sterimol/B1: 2.954	Sterimol/B2: 3.89134	Sterimol/B3: 4.34949
Sterimol/B4: 7.06409	Sterimol/L: 12.7792

Surface and Volume Properties
Accessible surface: 479.381	Positive charged surface: 251.902	Negative charged surface: 227.479	Volume: 260.75
Hydrophobic surface: 396.757	Hydrophilic surface: 82.624

Pharmacophoric Properties
Hydrogen bond donors: 0	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.