MMsINC Database Search


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

MMsINC code: MMs02697327

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₂

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C16H15Cl2NO2/c1-3-10-6-4-5-7-14(10)19-16(20)11-8-12(17)15(21-2)13(18)9-11/h4-9H,3H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6743 kcal/mol

Physical Properties
Molecular Weight: 324.207 g/mol	logS: -5.54952	SlogP: 4.81667	Reactive groups: 0

Topological Properties
Globularity: 0.0319541	Sterimol/B1: 2.40783	Sterimol/B2: 2.47738	Sterimol/B3: 3.50919
Sterimol/B4: 7.30038	Sterimol/L: 16.1431

Surface and Volume Properties
Accessible surface: 543.79	Positive charged surface: 277.807	Negative charged surface: 265.982	Volume: 291.375
Hydrophobic surface: 486.166	Hydrophilic surface: 57.624

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.