MMsINC Database Search


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MMsINC code: MMs00022988

Type: Neutral
Formula: C₇H₆ClFO

SMILES:

Clc1cc(ccc1F)CO

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6994 kcal/mol

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

Topological Properties
Globularity: 0.0535709	Sterimol/B1: 2.24181	Sterimol/B2: 2.51975	Sterimol/B3: 2.8702
Sterimol/B4: 5.82367	Sterimol/L: 9.95752

Surface and Volume Properties
Accessible surface: 319.494	Positive charged surface: 150.286	Negative charged surface: 169.208	Volume: 136
Hydrophobic surface: 255.529	Hydrophilic surface: 63.965

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

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Ions/Tautomers related molecules: no related molecules available.