MMsINC Database Search


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MMsINC code: MMs00458495

Type: Neutral
Formula: C₆H₁₁FO₃

SMILES:

FC1CC(OC1OC)CO

InChI:

InChI=1/C6H11FO3/c1-9-6-5(7)2-4(3-8)10-6/h4-6,8H,2-3H2,1H3/t4-,5+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4979 kcal/mol

Physical Properties
Molecular Weight: 150.149 g/mol	logS: -0.22831	SlogP: 0.4981	Reactive groups: 0

Topological Properties
Globularity: 0.122168	Sterimol/B1: 2.73548	Sterimol/B2: 2.901	Sterimol/B3: 2.94178
Sterimol/B4: 5.04546	Sterimol/L: 10.0304

Surface and Volume Properties
Accessible surface: 335.19	Positive charged surface: 266.632	Negative charged surface: 68.5577	Volume: 136.25
Hydrophobic surface: 230.513	Hydrophilic surface: 104.677

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.