MMsINC Database Search


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MMsINC code: MMs00059545

Type: Neutral
Formula: C₁₄H₁₅NO₂S

SMILES:

S(=O)(=O)(NCc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C14H15NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.5548 kcal/mol

Physical Properties
Molecular Weight: 261.345 g/mol	logS: -3.46468	SlogP: 2.73992	Reactive groups: 0

Topological Properties
Globularity: 0.0917744	Sterimol/B1: 2.99513	Sterimol/B2: 3.26587	Sterimol/B3: 4.35462
Sterimol/B4: 6.10912	Sterimol/L: 15.3848

Surface and Volume Properties
Accessible surface: 496.312	Positive charged surface: 261.431	Negative charged surface: 234.881	Volume: 248.25
Hydrophobic surface: 411.984	Hydrophilic surface: 84.328

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.