MMsINC Database Search


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MMsINC code: MMs02602020

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₃S

SMILES:

Clc1ccccc1CS(=O)(=O)CC(=O)Nc1ccc(Cl)cc1

InChI:

InChI=1/C15H13Cl2NO3S/c16-12-5-7-13(8-6-12)18-15(19)10-22(20,21)9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0379 kcal/mol

Physical Properties
Molecular Weight: 358.245 g/mol	logS: -4.93462	SlogP: 3.8133	Reactive groups: 0

Topological Properties
Globularity: 0.0520256	Sterimol/B1: 2.8138	Sterimol/B2: 3.14665	Sterimol/B3: 4.82572
Sterimol/B4: 4.95223	Sterimol/L: 18.415

Surface and Volume Properties
Accessible surface: 565.015	Positive charged surface: 248.564	Negative charged surface: 316.451	Volume: 296
Hydrophobic surface: 480.024	Hydrophilic surface: 84.991

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.