MMsINC Database Search


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MMsINC code: MMs02422355

Type: Neutral
Formula: C₁₉H₁₃FO₂

SMILES:

Fc1c2c(ccc1)c(ccc2)C1(OC(=O)c2c1cccc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.795 kcal/mol

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

Topological Properties
Globularity: 0.11812	Sterimol/B1: 2.23455	Sterimol/B2: 3.02356	Sterimol/B3: 5.7204
Sterimol/B4: 6.499	Sterimol/L: 14.1297

Surface and Volume Properties
Accessible surface: 481.265	Positive charged surface: 237.69	Negative charged surface: 235.34	Volume: 268.875
Hydrophobic surface: 406.96	Hydrophilic surface: 74.305

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.