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MMsINC code: MMs00937633

Type: Ionized
Formula: C₁₈H₁₄ClN₂O₄-

SMILES:

Clc1cc2c([nH]c(C(=O)[O-])c2CC(=O)Nc2ccccc2OC)cc1

InChI:

InChI=1/C18H15ClN2O4/c1-25-15-5-3-2-4-14(15)20-16(22)9-12-11-8-10(19)6-7-13(11)21-17(12)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.1915 kcal/mol

Physical Properties
Molecular Weight: 357.773 g/mol	logS: -4.87368	SlogP: 2.37457	Reactive groups: 0

Topological Properties
Globularity: 0.0796319	Sterimol/B1: 2.94052	Sterimol/B2: 3.03572	Sterimol/B3: 4.28639
Sterimol/B4: 7.36368	Sterimol/L: 15.5323

Surface and Volume Properties
Accessible surface: 555.259	Positive charged surface: 277.672	Negative charged surface: 272.137	Volume: 313.375
Hydrophobic surface: 439.938	Hydrophilic surface: 115.321

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs00937632
CHEMDIV-ZINC04563860