MMsINC Database Search


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MMsINC code: MMs00109152

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

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

InChI:

InChI=1/C15H16N2O3S/c1-12-7-9-14(10-8-12)21(19,20)17-15(18)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.117 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -3.8931	SlogP: 2.44952	Reactive groups: 0

Topological Properties
Globularity: 0.0750216	Sterimol/B1: 2.12926	Sterimol/B2: 3.42105	Sterimol/B3: 3.94716
Sterimol/B4: 7.29153	Sterimol/L: 16.5354

Surface and Volume Properties
Accessible surface: 547.009	Positive charged surface: 299.747	Negative charged surface: 247.262	Volume: 276.25
Hydrophobic surface: 419.943	Hydrophilic surface: 127.066

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.