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MMsINC code: MMs03250838

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1\C=N\NC(=O)COc1ccccc1CC=C

InChI:

InChI=1/C18H16Cl2N2O2/c1-2-6-13-7-3-4-10-17(13)24-12-18(23)22-21-11-14-15(19)8-5-9-16(14)20/h2-5,7-11H,1,6,12H2,(H,22,23)/b21-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.549 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -6.24171	SlogP: 4.25097	Reactive groups: 0

Topological Properties
Globularity: 0.0145156	Sterimol/B1: 2.097	Sterimol/B2: 2.41547	Sterimol/B3: 3.64202
Sterimol/B4: 8.45688	Sterimol/L: 18.3003

Surface and Volume Properties
Accessible surface: 624.136	Positive charged surface: 327.343	Negative charged surface: 296.793	Volume: 328.625
Hydrophobic surface: 503.525	Hydrophilic surface: 120.611

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.