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MMsINC code: MMs03335612

Type: Neutral
Formula: C₁₅H₁₁Cl₂NO₄

SMILES:

Clc1cc(NC(=O)COc2ccc(Cl)cc2)c(cc1)C(O)=O

InChI:

InChI=1/C15H11Cl2NO4/c16-9-1-4-11(5-2-9)22-8-14(19)18-13-7-10(17)3-6-12(13)15(20)21/h1-7H,8H2,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1381 kcal/mol

Physical Properties
Molecular Weight: 340.162 g/mol	logS: -4.86967	SlogP: 3.7091	Reactive groups: 0

Topological Properties
Globularity: 0.0147853	Sterimol/B1: 2.097	Sterimol/B2: 3.29222	Sterimol/B3: 4.45446
Sterimol/B4: 6.52116	Sterimol/L: 17.4225

Surface and Volume Properties
Accessible surface: 554.31	Positive charged surface: 245.522	Negative charged surface: 308.789	Volume: 281.25
Hydrophobic surface: 424.414	Hydrophilic surface: 129.896

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03335613
PUBCHEM-ZINC05649550