MMsINC Database Search


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MMsINC code: MMs02778206

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₃S

SMILES:

Clc1cc(NC(=O)CNS(=O)(=O)c2ccccc2)cc(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.2088 kcal/mol

Physical Properties
Molecular Weight: 359.233 g/mol	logS: -4.68787	SlogP: 2.9104	Reactive groups: 0

Topological Properties
Globularity: 0.0528998	Sterimol/B1: 3.27902	Sterimol/B2: 3.3959	Sterimol/B3: 4.32036
Sterimol/B4: 6.33346	Sterimol/L: 16.0631

Surface and Volume Properties
Accessible surface: 568.819	Positive charged surface: 227.61	Negative charged surface: 341.209	Volume: 292
Hydrophobic surface: 437.076	Hydrophilic surface: 131.743

Pharmacophoric Properties
Hydrogen bond donors: 2	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.