MMsINC Database Search


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MMsINC code: MMs02215669

Type: Neutral
Formula: C₁₈H₁₁FO₂

SMILES:

Fc1c2c(ccc1)c(ccc2)C1OC(=O)c2c1cccc2

InChI:

InChI=1/C18H11FO2/c19-16-10-4-7-11-12(16)8-3-9-13(11)17-14-5-1-2-6-15(14)18(20)21-17/h1-10,17H/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7248 kcal/mol

Physical Properties
Molecular Weight: 278.282 g/mol	logS: -5.82977	SlogP: 4.3342	Reactive groups: 0

Topological Properties
Globularity: 0.135477	Sterimol/B1: 2.15436	Sterimol/B2: 2.50914	Sterimol/B3: 4.69422
Sterimol/B4: 7.01349	Sterimol/L: 12.7621

Surface and Volume Properties
Accessible surface: 469.461	Positive charged surface: 216.167	Negative charged surface: 243.899	Volume: 254.5
Hydrophobic surface: 402.604	Hydrophilic surface: 66.857

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.