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MMsINC code: MMs01837834

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1N1C(=O)C(CC1=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C18H12Cl2N2O2/c19-13-5-3-6-14(20)17(13)22-16(23)8-11(18(22)24)12-9-21-15-7-2-1-4-10(12)15/h1-7,9,11,21H,8H2/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3839 kcal/mol

Physical Properties
Molecular Weight: 359.212 g/mol	logS: -5.36146	SlogP: 4.5218	Reactive groups: 0

Topological Properties
Globularity: 0.0823707	Sterimol/B1: 2.4162	Sterimol/B2: 3.67868	Sterimol/B3: 5.27575
Sterimol/B4: 5.61099	Sterimol/L: 16.1545

Surface and Volume Properties
Accessible surface: 542.84	Positive charged surface: 221.494	Negative charged surface: 316.348	Volume: 307.375
Hydrophobic surface: 441.769	Hydrophilic surface: 101.071

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.