MMsINC Database Search


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MMsINC code: MMs02669086

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1cc(S(=O)(=O)NC(C)c2ccccc2)c(OC)cc1

InChI:

InChI=1/C15H16ClNO3S/c1-11(12-6-4-3-5-7-12)17-21(18,19)15-10-13(16)8-9-14(15)20-2/h3-11,17H,1-2H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.9163 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -4.10264	SlogP: 3.4836	Reactive groups: 0

Topological Properties
Globularity: 0.0895358	Sterimol/B1: 2.24953	Sterimol/B2: 4.34063	Sterimol/B3: 5.09056
Sterimol/B4: 5.63176	Sterimol/L: 15.5049

Surface and Volume Properties
Accessible surface: 516.11	Positive charged surface: 243.95	Negative charged surface: 272.16	Volume: 285.875
Hydrophobic surface: 426.547	Hydrophilic surface: 89.563

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.