MMsINC Database Search


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MMsINC code: MMs02423464

Type: Neutral
Formula: C₁₉H₁₃FO₂

SMILES:

Fc1ccc(cc1)C1(OC(=O)c2c1ccc1c2cccc1)C

InChI:

InChI=1/C19H13FO2/c1-19(13-7-9-14(20)10-8-13)16-11-6-12-4-2-3-5-15(12)17(16)18(21)22-19/h2-11H,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4414 kcal/mol

Physical Properties
Molecular Weight: 292.309 g/mol	logS: -6.15698	SlogP: 4.7243	Reactive groups: 0

Topological Properties
Globularity: 0.170211	Sterimol/B1: 2.16081	Sterimol/B2: 4.66796	Sterimol/B3: 4.75325
Sterimol/B4: 6.45445	Sterimol/L: 14.1888

Surface and Volume Properties
Accessible surface: 489.33	Positive charged surface: 236.518	Negative charged surface: 242.514	Volume: 271.875
Hydrophobic surface: 421.9	Hydrophilic surface: 67.43

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.