MMsINC Database Search


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MMsINC code: MMs00119361

Type: Neutral
Formula: C₁₇H₁₉NOS

SMILES:

S(Cc1ccccc1)CC(=O)NCc1ccccc1C

InChI:

InChI=1/C17H19NOS/c1-14-7-5-6-10-16(14)11-18-17(19)13-20-12-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4385 kcal/mol

Physical Properties
Molecular Weight: 285.411 g/mol	logS: -4.76471	SlogP: 4.07742	Reactive groups: 0

Topological Properties
Globularity: 0.0320074	Sterimol/B1: 2.29279	Sterimol/B2: 3.24984	Sterimol/B3: 3.39921
Sterimol/B4: 6.12142	Sterimol/L: 18.973

Surface and Volume Properties
Accessible surface: 572.119	Positive charged surface: 337.541	Negative charged surface: 234.578	Volume: 291
Hydrophobic surface: 488.975	Hydrophilic surface: 83.144

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.