MMsINC Database Search


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MMsINC code: MMs02262480

Type: Neutral
Formula: C₁₇H₁₅NO₂S

SMILES:

S1C(Cc2ccccc2)(Cc2ccccc2)C(=O)NC1=O

InChI:

InChI=1/C17H15NO2S/c19-15-17(21-16(20)18-15,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.776 kcal/mol

Physical Properties
Molecular Weight: 297.378 g/mol	logS: -5.00584	SlogP: 3.19354	Reactive groups: 0

Topological Properties
Globularity: 0.168147	Sterimol/B1: 3.79502	Sterimol/B2: 3.88586	Sterimol/B3: 3.89251
Sterimol/B4: 4.67607	Sterimol/L: 14.149

Surface and Volume Properties
Accessible surface: 483.191	Positive charged surface: 252.627	Negative charged surface: 230.564	Volume: 277.125
Hydrophobic surface: 382.927	Hydrophilic surface: 100.264

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.