MMsINC Database Search


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MMsINC code: MMs02862762

Type: Neutral
Formula: C₈H₉FO

SMILES:

FCC(O)c1ccccc1

InChI:

InChI=1/C8H9FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.2371 kcal/mol

Physical Properties
Molecular Weight: 140.157 g/mol	logS: -1.47959	SlogP: 1.785	Reactive groups: 1

Topological Properties
Globularity: 0.11708	Sterimol/B1: 2.78787	Sterimol/B2: 3.32446	Sterimol/B3: 3.57941
Sterimol/B4: 3.86049	Sterimol/L: 10.3382

Surface and Volume Properties
Accessible surface: 318.948	Positive charged surface: 172.277	Negative charged surface: 146.671	Volume: 136
Hydrophobic surface: 239.578	Hydrophilic surface: 79.37

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.