MMsINC Database Search


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MMsINC code: MMs02350386

Type: Neutral
Formula: C₉H₁₁FO

SMILES:

FCCc1ccc(OC)cc1

InChI:

InChI=1/C9H11FO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.8255 kcal/mol

Physical Properties
Molecular Weight: 154.184 g/mol	logS: -1.79398	SlogP: 2.20717	Reactive groups: 1

Topological Properties
Globularity: 0.0628437	Sterimol/B1: 2.65283	Sterimol/B2: 2.903	Sterimol/B3: 3.12298
Sterimol/B4: 4.45855	Sterimol/L: 12.409

Surface and Volume Properties
Accessible surface: 354.708	Positive charged surface: 235.902	Negative charged surface: 118.806	Volume: 154.125
Hydrophobic surface: 306.221	Hydrophilic surface: 48.487

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

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Ions/Tautomers related molecules: no related molecules available.