MMsINC Database Search


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MMsINC code: MMs00195604

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccccc2)CC(=O)NC)cc1

InChI:

InChI=1/C16H17ClN2O3S/c1-18-16(20)12-19(11-13-5-3-2-4-6-13)23(21,22)15-9-7-14(17)8-10-15/h2-10H,11-12H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.9933 kcal/mol

Physical Properties
Molecular Weight: 352.842 g/mol	logS: -3.9732	SlogP: 2.5433	Reactive groups: 0

Topological Properties
Globularity: 0.0922598	Sterimol/B1: 2.52148	Sterimol/B2: 2.64121	Sterimol/B3: 4.88287
Sterimol/B4: 8.75645	Sterimol/L: 15.8538

Surface and Volume Properties
Accessible surface: 560.677	Positive charged surface: 308.706	Negative charged surface: 251.972	Volume: 312.75
Hydrophobic surface: 470.91	Hydrophilic surface: 89.767

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.