MMsINC Database Search


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MMsINC code: MMs00625723

Type: Neutral
Formula: C₁₈H₁₃FO₂

SMILES:

Fc1cc(ccc1)COc1ccc2c(cccc2)c1C=O

InChI:

InChI=1/C18H13FO2/c19-15-6-3-4-13(10-15)12-21-18-9-8-14-5-1-2-7-16(14)17(18)11-20/h1-11H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2484 kcal/mol

Physical Properties
Molecular Weight: 280.298 g/mol	logS: -5.38213	SlogP: 4.6368	Reactive groups: 1

Topological Properties
Globularity: 0.0520802	Sterimol/B1: 3.65992	Sterimol/B2: 3.82108	Sterimol/B3: 4.14559
Sterimol/B4: 4.76191	Sterimol/L: 16.3094

Surface and Volume Properties
Accessible surface: 511.043	Positive charged surface: 265.525	Negative charged surface: 234.446	Volume: 265.125
Hydrophobic surface: 453.977	Hydrophilic surface: 57.066

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.