MMsINC Database Search


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MMsINC code: MMs03717437

Type: Neutral
Formula: C₁₅H₁₂N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccccc1)c1c2c(ccc1)cncc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5921 kcal/mol

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

Topological Properties
Globularity: 0.309005	Sterimol/B1: 2.67394	Sterimol/B2: 4.7838	Sterimol/B3: 5.06296
Sterimol/B4: 6.41417	Sterimol/L: 11.6165

Surface and Volume Properties
Accessible surface: 460.302	Positive charged surface: 261.348	Negative charged surface: 191.539	Volume: 253.5
Hydrophobic surface: 371.382	Hydrophilic surface: 88.92

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.