MMsINC Database Search


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MMsINC code: MMs01266419

Type: Neutral
Formula: C₁₀H₁₂F₂O₂

SMILES:

FC(F)Oc1ccc(OCCC)cc1

InChI:

InChI=1/C10H12F2O2/c1-2-7-13-8-3-5-9(6-4-8)14-10(11)12/h3-6,10H,2,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1946 kcal/mol

Physical Properties
Molecular Weight: 202.2 g/mol	logS: -2.09849	SlogP: 3.4967	Reactive groups: 0

Topological Properties
Globularity: 0.0263918	Sterimol/B1: 2.33577	Sterimol/B2: 2.63779	Sterimol/B3: 2.63835
Sterimol/B4: 5.35639	Sterimol/L: 14.1768

Surface and Volume Properties
Accessible surface: 408.229	Positive charged surface: 241.646	Negative charged surface: 166.582	Volume: 184.625
Hydrophobic surface: 289.861	Hydrophilic surface: 118.368

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.