MMsINC Database Search


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MMsINC code: MMs02328075

Type: Neutral
Formula: C₂₀H₁₅FO₂

SMILES:

Fc1c2c(cccc2)c(cc1C)C1OC(=O)c2c1cccc2C

InChI:

InChI=1/C20H15FO2/c1-11-6-5-9-15-17(11)20(22)23-19(15)16-10-12(2)18(21)14-8-4-3-7-13(14)16/h3-10,19H,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4364 kcal/mol

Physical Properties
Molecular Weight: 306.336 g/mol	logS: -6.46416	SlogP: 4.95104	Reactive groups: 0

Topological Properties
Globularity: 0.116236	Sterimol/B1: 3.20803	Sterimol/B2: 4.09857	Sterimol/B3: 5.02523
Sterimol/B4: 5.86481	Sterimol/L: 13.5193

Surface and Volume Properties
Accessible surface: 511.547	Positive charged surface: 263.742	Negative charged surface: 240.606	Volume: 290.375
Hydrophobic surface: 455.755	Hydrophilic surface: 55.792

Pharmacophoric Properties
Hydrogen bond donors: 0	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.