MMsINC Database Search


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MMsINC code: MMs00011571

Type: Neutral
Formula: C₁₁H₁₁FO

SMILES:

Fc1ccc(cc1)C(=O)C1CCC1

InChI:

InChI=1/C11H11FO/c12-10-6-4-9(5-7-10)11(13)8-2-1-3-8/h4-8H,1-3H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8487 kcal/mol

Physical Properties
Molecular Weight: 178.206 g/mol	logS: -2.80885	SlogP: 2.8085	Reactive groups: 0

Topological Properties
Globularity: 0.0744759	Sterimol/B1: 2.51856	Sterimol/B2: 3.22292	Sterimol/B3: 3.38015
Sterimol/B4: 5.18	Sterimol/L: 12.334

Surface and Volume Properties
Accessible surface: 373.763	Positive charged surface: 91.7306	Negative charged surface: 121.452	Volume: 174.5
Hydrophobic surface: 351.991	Hydrophilic surface: 21.772

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.