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MMsINC code: MMs03568616

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₂

SMILES:

Clc1ccc(cc1)/C(=N/NC(=O)COc1ccc(Cl)cc1)/C

InChI:

InChI=1/C16H14Cl2N2O2/c1-11(12-2-4-13(17)5-3-12)19-20-16(21)10-22-15-8-6-14(18)7-9-15/h2-9H,10H2,1H3,(H,20,21)/b19-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.301 kcal/mol

Physical Properties
Molecular Weight: 337.206 g/mol	logS: -5.38971	SlogP: 3.9126	Reactive groups: 0

Topological Properties
Globularity: 0.0227385	Sterimol/B1: 2.41828	Sterimol/B2: 2.76057	Sterimol/B3: 2.99526
Sterimol/B4: 8.89731	Sterimol/L: 16.7456

Surface and Volume Properties
Accessible surface: 582.949	Positive charged surface: 258.562	Negative charged surface: 324.387	Volume: 299.625
Hydrophobic surface: 512.816	Hydrophilic surface: 70.133

Pharmacophoric Properties
Hydrogen bond donors: 1	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.