MMsINC Database Search


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MMsINC code: MMs02415429

Type: Neutral
Formula: C₁₅H₁₁FO

SMILES:

Fc1ccc(cc1)\C=C/C(=O)c1ccccc1

InChI:

InChI=1/C15H11FO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6068 kcal/mol

Physical Properties
Molecular Weight: 226.25 g/mol	logS: -4.25849	SlogP: 3.7218	Reactive groups: 1

Topological Properties
Globularity: 0.0425943	Sterimol/B1: 2.63154	Sterimol/B2: 3.10826	Sterimol/B3: 3.46165
Sterimol/B4: 5.01951	Sterimol/L: 13.8911

Surface and Volume Properties
Accessible surface: 438.766	Positive charged surface: 220.955	Negative charged surface: 217.811	Volume: 222.25
Hydrophobic surface: 424.968	Hydrophilic surface: 13.798

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.