MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00689111

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C19H16Cl2N2O2/c1-12-16(19(24)23(2)11-13-7-4-3-5-8-13)18(22-25-12)17-14(20)9-6-10-15(17)21/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0045 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.01642	SlogP: 5.49542	Reactive groups: 0

Topological Properties
Globularity: 0.25412	Sterimol/B1: 4.12436	Sterimol/B2: 4.16402	Sterimol/B3: 5.06462
Sterimol/B4: 6.14979	Sterimol/L: 13.5107

Surface and Volume Properties
Accessible surface: 531.929	Positive charged surface: 273.389	Negative charged surface: 258.54	Volume: 335.625
Hydrophobic surface: 491.92	Hydrophilic surface: 40.009

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.