MMsINC Database Search


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

MMsINC code: MMs00004962

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1cccc(F)c1CO

InChI:

InChI=1/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.9423 kcal/mol

Physical Properties
Molecular Weight: 160.575 g/mol	logS: -2.18517	SlogP: 2.2378	Reactive groups: 0

Topological Properties
Globularity: 0.0559767	Sterimol/B1: 2.43203	Sterimol/B2: 2.6776	Sterimol/B3: 3.91486
Sterimol/B4: 4.69094	Sterimol/L: 9.68848

Surface and Volume Properties
Accessible surface: 314.943	Positive charged surface: 148.98	Negative charged surface: 165.963	Volume: 134
Hydrophobic surface: 253.911	Hydrophilic surface: 61.032

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.