MMsINC Database Search


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

MMsINC code: MMs03451609

Type: Neutral
Formula: C₁₃H₁₀Cl₂O

SMILES:

Clc1cc(Cl)cc(Cc2ccccc2)c1O

InChI:

InChI=1/C13H10Cl2O/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.1436 kcal/mol

Physical Properties
Molecular Weight: 253.128 g/mol	logS: -4.29444	SlogP: 4.28977	Reactive groups: 0

Topological Properties
Globularity: 0.159435	Sterimol/B1: 2.45867	Sterimol/B2: 4.56499	Sterimol/B3: 4.61901
Sterimol/B4: 4.88584	Sterimol/L: 11.7098

Surface and Volume Properties
Accessible surface: 443.54	Positive charged surface: 188.184	Negative charged surface: 255.357	Volume: 224.875
Hydrophobic surface: 414.333	Hydrophilic surface: 29.207

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.