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MMsINC code: MMs00178176

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1-c1onc(c1)C(=O)N1CCCC1

InChI:

InChI=1/C14H12Cl2N2O2/c15-9-3-4-10(11(16)7-9)13-8-12(17-20-13)14(19)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3919 kcal/mol

Physical Properties
Molecular Weight: 311.168 g/mol	logS: -4.64043	SlogP: 3.8844	Reactive groups: 0

Topological Properties
Globularity: 0.0286588	Sterimol/B1: 2.34952	Sterimol/B2: 2.51322	Sterimol/B3: 3.59259
Sterimol/B4: 5.67882	Sterimol/L: 17.305

Surface and Volume Properties
Accessible surface: 516.159	Positive charged surface: 262.801	Negative charged surface: 253.358	Volume: 263.75
Hydrophobic surface: 456.227	Hydrophilic surface: 59.932

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.