MMsINC Database Search


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MMsINC code: MMs00938809

Type: Neutral
Formula: C₁₆H₁₆ClNO₃S₂

SMILES:

Clc1ccccc1C(=O)N(Cc1sccc1)C1CCS(=O)(=O)C1

InChI:

InChI=1/C16H16ClNO3S2/c17-15-6-2-1-5-14(15)16(19)18(10-13-4-3-8-22-13)12-7-9-23(20,21)11-12/h1-6,8,12H,7,9-11H2/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=236.464 kcal/mol

Physical Properties
Molecular Weight: 369.893 g/mol	logS: -4.19566	SlogP: 3.4974	Reactive groups: 0

Topological Properties
Globularity: 0.33277	Sterimol/B1: 2.86939	Sterimol/B2: 4.73464	Sterimol/B3: 5.52877
Sterimol/B4: 6.936	Sterimol/L: 11.7264

Surface and Volume Properties
Accessible surface: 511.966	Positive charged surface: 227.818	Negative charged surface: 284.148	Volume: 306.5
Hydrophobic surface: 411.787	Hydrophilic surface: 100.179

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.