MMsINC Database Search


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MMsINC code: MMs02412268

Type: Neutral
Formula: C₁₉H₁₃FO₂

SMILES:

Fc1cc(c2c(c1)cccc2)C1(OC(=O)c2c1cccc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4321 kcal/mol

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

Topological Properties
Globularity: 0.118748	Sterimol/B1: 2.23512	Sterimol/B2: 3.03357	Sterimol/B3: 5.71771
Sterimol/B4: 6.77366	Sterimol/L: 14.1386

Surface and Volume Properties
Accessible surface: 482.571	Positive charged surface: 236.913	Negative charged surface: 237.422	Volume: 269.75
Hydrophobic surface: 408.265	Hydrophilic surface: 74.306

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.