MMsINC Database Search


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MMsINC code: MMs00444095

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₃S₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1scc(S(=O)(=O)N(C)C)c1

InChI:

InChI=1/C13H12Cl2N2O3S2/c1-17(2)22(19,20)9-6-12(21-7-9)13(18)16-11-5-8(14)3-4-10(11)15/h3-7H,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.5955 kcal/mol

Physical Properties
Molecular Weight: 379.288 g/mol	logS: -4.54368	SlogP: 3.5575	Reactive groups: 0

Topological Properties
Globularity: 0.0598065	Sterimol/B1: 2.6872	Sterimol/B2: 4.08207	Sterimol/B3: 4.57334
Sterimol/B4: 5.53931	Sterimol/L: 16.2428

Surface and Volume Properties
Accessible surface: 564.527	Positive charged surface: 247.656	Negative charged surface: 316.871	Volume: 300
Hydrophobic surface: 472.403	Hydrophilic surface: 92.124

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.