MMsINC Database Search


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MMsINC code: MMs00606230

Type: Neutral
Formula: C₁₀H₁₂N₂O₂S

SMILES:

S(CC(=O)Nc1ccccc1)CC(=O)N

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4534 kcal/mol

Physical Properties
Molecular Weight: 224.284 g/mol	logS: -2.85741	SlogP: 0.8436	Reactive groups: 0

Topological Properties
Globularity: 0.0150537	Sterimol/B1: 2.41168	Sterimol/B2: 2.88589	Sterimol/B3: 3.35769
Sterimol/B4: 4.40687	Sterimol/L: 16.0249

Surface and Volume Properties
Accessible surface: 445.575	Positive charged surface: 274.632	Negative charged surface: 170.942	Volume: 205.625
Hydrophobic surface: 262.152	Hydrophilic surface: 183.423

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.