MMsINC Database Search


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MMsINC code: MMs02790153

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₃S

SMILES:

Clc1cc(N(S(=O)(=O)c2ccccc2)CC(=O)N)cc(Cl)c1

InChI:

InChI=1/C14H12Cl2N2O3S/c15-10-6-11(16)8-12(7-10)18(9-14(17)19)22(20,21)13-4-2-1-3-5-13/h1-8H,9H2,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.304 kcal/mol

Physical Properties
Molecular Weight: 359.233 g/mol	logS: -4.86944	SlogP: 2.674	Reactive groups: 0

Topological Properties
Globularity: 0.195921	Sterimol/B1: 4.04945	Sterimol/B2: 4.56083	Sterimol/B3: 4.62424
Sterimol/B4: 6.77335	Sterimol/L: 13.1139

Surface and Volume Properties
Accessible surface: 541.545	Positive charged surface: 226.428	Negative charged surface: 315.117	Volume: 289.25
Hydrophobic surface: 397.604	Hydrophilic surface: 143.941

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.