MMsINC Database Search


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

MMsINC code: MMs02683847

Type: Neutral
Formula: C₁₃H₉Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1C(=O)Nc1ccccc1O

InChI:

InChI=1/C13H9Cl2NO2/c14-8-5-6-10(15)9(7-8)13(18)16-11-3-1-2-4-12(11)17/h1-7,17H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2283 kcal/mol

Physical Properties
Molecular Weight: 282.126 g/mol	logS: -4.4615	SlogP: 3.9513	Reactive groups: 0

Topological Properties
Globularity: 0.0229794	Sterimol/B1: 2.43495	Sterimol/B2: 3.24433	Sterimol/B3: 3.57406
Sterimol/B4: 6.19306	Sterimol/L: 14.2376

Surface and Volume Properties
Accessible surface: 466.877	Positive charged surface: 200.451	Negative charged surface: 266.426	Volume: 236.75
Hydrophobic surface: 397.816	Hydrophilic surface: 69.061

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.