MMsINC Database Search


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MMsINC code: MMs03494212

Type: Neutral
Formula: C₁₀H₁₃FO₂

SMILES:

FCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C10H13FO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5359 kcal/mol

Physical Properties
Molecular Weight: 184.21 g/mol	logS: -1.84436	SlogP: 2.21577	Reactive groups: 1

Topological Properties
Globularity: 0.0724443	Sterimol/B1: 2.63219	Sterimol/B2: 2.88458	Sterimol/B3: 3.03789
Sterimol/B4: 6.7981	Sterimol/L: 12.4234

Surface and Volume Properties
Accessible surface: 398.659	Positive charged surface: 298.496	Negative charged surface: 100.163	Volume: 180.75
Hydrophobic surface: 343.294	Hydrophilic surface: 55.365

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.