MMsINC Database Search


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MMsINC code: MMs02238098

Type: Neutral
Formula: C₁₀H₁₂N₂O₂S

SMILES:

S(CCC(=O)Nc1ccccc1)C(=O)N

InChI:

InChI=1/C10H12N2O2S/c11-10(14)15-7-6-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,14)(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.873 kcal/mol

Physical Properties
Molecular Weight: 224.284 g/mol	logS: -2.79529	SlogP: 1.8271	Reactive groups: 0

Topological Properties
Globularity: 0.0178092	Sterimol/B1: 2.43536	Sterimol/B2: 3.02777	Sterimol/B3: 3.26387
Sterimol/B4: 4.52189	Sterimol/L: 15.6786

Surface and Volume Properties
Accessible surface: 445.182	Positive charged surface: 264.69	Negative charged surface: 180.492	Volume: 206.75
Hydrophobic surface: 254.552	Hydrophilic surface: 190.63

Pharmacophoric Properties
Hydrogen bond donors: 2	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.