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MMsINC code: MMs02865359

Type: Neutral
Formula: C₁₇H₁₀Cl₂N₂O₄

SMILES:

Clc1ccc(NC2=C(c3cc(Cl)ccc3)C(=O)NC2=O)cc1C(O)=O

InChI:

InChI=1/C17H10Cl2N2O4/c18-9-3-1-2-8(6-9)13-14(16(23)21-15(13)22)20-10-4-5-12(19)11(7-10)17(24)25/h1-7H,(H,24,25)(H2,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4264 kcal/mol

Physical Properties
Molecular Weight: 377.183 g/mol	logS: -5.6769	SlogP: 3.1712	Reactive groups: 1

Topological Properties
Globularity: 0.123066	Sterimol/B1: 2.86039	Sterimol/B2: 3.56103	Sterimol/B3: 5.03949
Sterimol/B4: 7.44956	Sterimol/L: 14.2299

Surface and Volume Properties
Accessible surface: 569.655	Positive charged surface: 245.761	Negative charged surface: 323.894	Volume: 303.625
Hydrophobic surface: 347.111	Hydrophilic surface: 222.544

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02865360
PUBCHEM-ZINC02047365