MMsINC Database Search


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MMsINC code: MMs00086391

Type: Neutral
Formula: C₁₅H₁₆N₂O₂S

SMILES:

S(CC(=O)NCc1ccc(OC)cc1)c1ncccc1

InChI:

InChI=1/C15H16N2O2S/c1-19-13-7-5-12(6-8-13)10-17-14(18)11-20-15-4-2-3-9-16-15/h2-9H,10-11H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3123 kcal/mol

Physical Properties
Molecular Weight: 288.371 g/mol	logS: -3.45025	SlogP: 2.7651	Reactive groups: 0

Topological Properties
Globularity: 0.037577	Sterimol/B1: 2.73772	Sterimol/B2: 3.09224	Sterimol/B3: 4.43634
Sterimol/B4: 6.03474	Sterimol/L: 18.9493

Surface and Volume Properties
Accessible surface: 559.156	Positive charged surface: 373.258	Negative charged surface: 185.898	Volume: 275.125
Hydrophobic surface: 450.566	Hydrophilic surface: 108.59

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.