MMsINC Database Search


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MMsINC code: MMs02633954

Type: Neutral
Formula: C₇H₅ClF₂O

SMILES:

Clc1cc(F)c(F)cc1CO

InChI:

InChI=1/C7H5ClF2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.0709 kcal/mol

Physical Properties
Molecular Weight: 178.565 g/mol	logS: -2.48015	SlogP: 2.3769	Reactive groups: 0

Topological Properties
Globularity: 0.0235209	Sterimol/B1: 2.37369	Sterimol/B2: 2.37642	Sterimol/B3: 2.88552
Sterimol/B4: 6.01399	Sterimol/L: 9.98311

Surface and Volume Properties
Accessible surface: 318.799	Positive charged surface: 137.458	Negative charged surface: 181.341	Volume: 136.125
Hydrophobic surface: 265.056	Hydrophilic surface: 53.743

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.