MMsINC Database Search


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MMsINC code: MMs01972284

Type: Neutral
Formula: C₁₅H₁₅NO₃S

SMILES:

S(=O)(=O)(CC(=O)Nc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C15H15NO3S/c1-12-7-9-13(10-8-12)16-15(17)11-20(18,19)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0349 kcal/mol

Physical Properties
Molecular Weight: 289.355 g/mol	logS: -3.99592	SlogP: 2.40742	Reactive groups: 0

Topological Properties
Globularity: 0.036032	Sterimol/B1: 3.45132	Sterimol/B2: 3.47398	Sterimol/B3: 3.77387
Sterimol/B4: 4.37092	Sterimol/L: 17.6556

Surface and Volume Properties
Accessible surface: 530.879	Positive charged surface: 285.226	Negative charged surface: 245.653	Volume: 265.375
Hydrophobic surface: 434.166	Hydrophilic surface: 96.713

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.