MMsINC Database Search


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

MMsINC code: MMs02253264

Type: Neutral
Formula: C₇H₆Cl₂O

SMILES:

Clc1cc(cc(Cl)c1O)C

InChI:

InChI=1/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.9657 kcal/mol

Physical Properties
Molecular Weight: 177.03 g/mol	logS: -2.96543	SlogP: 3.00742	Reactive groups: 0

Topological Properties
Globularity: 0.0314951	Sterimol/B1: 2.02734	Sterimol/B2: 2.49406	Sterimol/B3: 4.74957
Sterimol/B4: 4.75077	Sterimol/L: 9.37652

Surface and Volume Properties
Accessible surface: 333.206	Positive charged surface: 129.386	Negative charged surface: 203.82	Volume: 147.125
Hydrophobic surface: 294.12	Hydrophilic surface: 39.086

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.