MMsINC Database Search


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MMsINC code: MMs02157567

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(O\N=C(/O)\Cc1ccccc1)=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-11-16(18(23-26-11)17-13(20)8-5-9-14(17)21)19(25)27-22-15(24)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.091 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.53048	SlogP: 5.22779	Reactive groups: 0

Topological Properties
Globularity: 0.222809	Sterimol/B1: 2.28141	Sterimol/B2: 4.15083	Sterimol/B3: 5.76381
Sterimol/B4: 10.0138	Sterimol/L: 13.7944

Surface and Volume Properties
Accessible surface: 633.939	Positive charged surface: 304.255	Negative charged surface: 329.684	Volume: 344
Hydrophobic surface: 545.321	Hydrophilic surface: 88.618

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.