MMsINC Database Search


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MMsINC code: MMs02554931

Type: Neutral
Formula: C₁₂H₁₅Cl₂NO₂S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)N2CCCCC2)cc1C

InChI:

InChI=1/C12H15Cl2NO2S/c1-9-7-12(11(14)8-10(9)13)18(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0147 kcal/mol

Physical Properties
Molecular Weight: 308.229 g/mol	logS: -3.68164	SlogP: 3.47642	Reactive groups: 0

Topological Properties
Globularity: 0.0889131	Sterimol/B1: 2.50629	Sterimol/B2: 3.19444	Sterimol/B3: 4.40276
Sterimol/B4: 6.09505	Sterimol/L: 13.773

Surface and Volume Properties
Accessible surface: 470.985	Positive charged surface: 244.992	Negative charged surface: 225.992	Volume: 255.375
Hydrophobic surface: 420.191	Hydrophilic surface: 50.794

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.