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MMsINC code: MMs01408966

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1CC(=O)Nc1ccccc1C(=O)NCC=C

InChI:

InChI=1/C18H16Cl2N2O2/c1-2-10-21-18(24)12-6-3-4-9-16(12)22-17(23)11-13-14(19)7-5-8-15(13)20/h2-9H,1,10-11H2,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2076 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.52728	SlogP: 4.09037	Reactive groups: 0

Topological Properties
Globularity: 0.0529955	Sterimol/B1: 2.70217	Sterimol/B2: 4.08275	Sterimol/B3: 4.21646
Sterimol/B4: 7.9558	Sterimol/L: 18.1725

Surface and Volume Properties
Accessible surface: 608.13	Positive charged surface: 292.41	Negative charged surface: 315.72	Volume: 325.375
Hydrophobic surface: 489.836	Hydrophilic surface: 118.294

Pharmacophoric Properties
Hydrogen bond donors: 2	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.