MMsINC Database Search


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MMsINC code: MMs01754205

Type: Neutral
Formula: C₁₇H₈Cl₂N₂O₂

SMILES:

Clc1cc2c(cc1Cl)C(=O)N(C2=O)c1c2c(nccc2)ccc1

InChI:

InChI=1/C17H8Cl2N2O2/c18-12-7-10-11(8-13(12)19)17(23)21(16(10)22)15-5-1-4-14-9(15)3-2-6-20-14/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.5635 kcal/mol

Physical Properties
Molecular Weight: 343.169 g/mol	logS: -5.81571	SlogP: 4.3422	Reactive groups: 0

Topological Properties
Globularity: 0.10509	Sterimol/B1: 2.50868	Sterimol/B2: 3.99732	Sterimol/B3: 3.99781
Sterimol/B4: 7.46851	Sterimol/L: 14.6912

Surface and Volume Properties
Accessible surface: 523.963	Positive charged surface: 217.063	Negative charged surface: 303.568	Volume: 284.25
Hydrophobic surface: 433.245	Hydrophilic surface: 90.718

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: no related molecules available.