MMsINC Database Search


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MMsINC code: MMs02767331

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₄S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C14H11Cl2NO4S/c1-21-14(18)10-4-2-3-5-12(10)17-22(19,20)13-8-9(15)6-7-11(13)16/h2-8,17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8453 kcal/mol

Physical Properties
Molecular Weight: 360.217 g/mol	logS: -4.89703	SlogP: 3.5808	Reactive groups: 0

Topological Properties
Globularity: 0.0845077	Sterimol/B1: 3.61958	Sterimol/B2: 3.7639	Sterimol/B3: 4.39339
Sterimol/B4: 6.49351	Sterimol/L: 15.226

Surface and Volume Properties
Accessible surface: 527.653	Positive charged surface: 234.727	Negative charged surface: 292.926	Volume: 283.875
Hydrophobic surface: 430.616	Hydrophilic surface: 97.037

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.