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MMsINC code: MMs02482066

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(O\N=C(/C)\c1ccccc1O)=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-10(12-6-3-4-9-15(12)24)22-27-19(25)16-11(2)26-23-18(16)17-13(20)7-5-8-14(17)21/h3-9,24H,1-2H3/b22-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.039 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.44993	SlogP: 5.24342	Reactive groups: 0

Topological Properties
Globularity: 0.172855	Sterimol/B1: 2.24434	Sterimol/B2: 4.54254	Sterimol/B3: 4.73942
Sterimol/B4: 10.2977	Sterimol/L: 14.8107

Surface and Volume Properties
Accessible surface: 621.012	Positive charged surface: 285.884	Negative charged surface: 335.128	Volume: 343.625
Hydrophobic surface: 545.994	Hydrophilic surface: 75.018

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.