MMsINC Database Search


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MMsINC code: MMs02313380

Type: Neutral
Formula: C₁₆H₁₄F₄O₂

SMILES:

Fc1ccc(F)c(OCC)c1-c1c(OCC)c(F)ccc1F

InChI:

InChI=1/C16H14F4O2/c1-3-21-15-11(19)7-5-9(17)13(15)14-10(18)6-8-12(20)16(14)22-4-2/h5-8H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9808 kcal/mol

Physical Properties
Molecular Weight: 314.278 g/mol	logS: -5.74636	SlogP: 4.7074	Reactive groups: 0

Topological Properties
Globularity: 0.616974	Sterimol/B1: 2.3699	Sterimol/B2: 2.53458	Sterimol/B3: 6.95804
Sterimol/B4: 8.56655	Sterimol/L: 12.1494

Surface and Volume Properties
Accessible surface: 499.824	Positive charged surface: 266.12	Negative charged surface: 233.703	Volume: 267.125
Hydrophobic surface: 447.674	Hydrophilic surface: 52.15

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.