MMsINC Database Search


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MMsINC code: MMs00832115

Type: Neutral
Formula: C₁₆H₁₄N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccccc1C)c1c2ncccc2ccc1

InChI:

InChI=1/C16H14N2O2S/c1-12-6-2-3-9-14(12)18-21(19,20)15-10-4-7-13-8-5-11-17-16(13)15/h2-11,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.8605 kcal/mol

Physical Properties
Molecular Weight: 298.366 g/mol	logS: -3.79573	SlogP: 3.34402	Reactive groups: 0

Topological Properties
Globularity: 0.281341	Sterimol/B1: 2.21799	Sterimol/B2: 3.71275	Sterimol/B3: 5.25807
Sterimol/B4: 7.75691	Sterimol/L: 11.5397

Surface and Volume Properties
Accessible surface: 484.418	Positive charged surface: 259.861	Negative charged surface: 219.403	Volume: 270.625
Hydrophobic surface: 409.045	Hydrophilic surface: 75.373

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.