MMsINC Database Search


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MMsINC code: MMs02412267

Type: Neutral
Formula: C₁₉H₁₃FO₂

SMILES:

Fc1c2cc(ccc2ccc1)C1(OC(=O)c2c1cccc2)C

InChI:

InChI=1/C19H13FO2/c1-19(16-7-3-2-6-14(16)18(21)22-19)13-10-9-12-5-4-8-17(20)15(12)11-13/h2-11H,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1223 kcal/mol

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

Topological Properties
Globularity: 0.175116	Sterimol/B1: 2.2281	Sterimol/B2: 3.97404	Sterimol/B3: 5.45582
Sterimol/B4: 6.54702	Sterimol/L: 13.857

Surface and Volume Properties
Accessible surface: 496.904	Positive charged surface: 238.972	Negative charged surface: 248.772	Volume: 272.625
Hydrophobic surface: 422.649	Hydrophilic surface: 74.255

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.