MMsINC Database Search


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MMsINC code: MMs03179069

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(NC(=O)Nc1ccccc1C)c1ccc(cc1)C

InChI:

InChI=1/C15H16N2O3S/c1-11-7-9-13(10-8-11)21(19,20)17-15(18)16-14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.5805 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -4.10953	SlogP: 2.81384	Reactive groups: 0

Topological Properties
Globularity: 0.0692016	Sterimol/B1: 2.55835	Sterimol/B2: 2.96356	Sterimol/B3: 4.98985
Sterimol/B4: 7.43348	Sterimol/L: 14.8511

Surface and Volume Properties
Accessible surface: 531.448	Positive charged surface: 285.752	Negative charged surface: 245.696	Volume: 278.25
Hydrophobic surface: 420.555	Hydrophilic surface: 110.893

Pharmacophoric Properties
Hydrogen bond donors: 2	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.