MMsINC Database Search


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MMsINC code: MMs00042749

Type: Neutral
Formula: C₁₅H₁₃FO

SMILES:

Fc1ccccc1-c1ccc(cc1)C(=O)CC

InChI:

InChI=1/C15H13FO/c1-2-15(17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4696 kcal/mol

Physical Properties
Molecular Weight: 228.266 g/mol	logS: -4.62028	SlogP: 4.0854	Reactive groups: 0

Topological Properties
Globularity: 0.0309909	Sterimol/B1: 2.68616	Sterimol/B2: 2.7721	Sterimol/B3: 3.42496
Sterimol/B4: 4.04516	Sterimol/L: 15.4749

Surface and Volume Properties
Accessible surface: 449.734	Positive charged surface: 249.403	Negative charged surface: 195.451	Volume: 228.5
Hydrophobic surface: 396.765	Hydrophilic surface: 52.969

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.