MMsINC Database Search


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

MMsINC code: MMs00009219

Type: Neutral
Formula: C₈H₉ClO

SMILES:

ClCc1cc(OC)ccc1

InChI:

InChI=1/C8H9ClO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4311 kcal/mol

Physical Properties
Molecular Weight: 156.612 g/mol	logS: -2.1741	SlogP: 2.7004	Reactive groups: 1

Topological Properties
Globularity: 0.0446293	Sterimol/B1: 2.3547	Sterimol/B2: 2.91358	Sterimol/B3: 3.56701
Sterimol/B4: 4.9477	Sterimol/L: 11.0382

Surface and Volume Properties
Accessible surface: 345.896	Positive charged surface: 203.251	Negative charged surface: 142.645	Volume: 151
Hydrophobic surface: 256.698	Hydrophilic surface: 89.198

Pharmacophoric Properties
Hydrogen bond donors: 0	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.