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ALFAAESAR-ZINC02555198

MMsINC code: MMs00023569

Type: Neutral
Formula: C₅H₁₀FNO₂

SMILES:

FC(C(N)C(O)=O)(C)C

InChI:

InChI=1/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)/t3-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2923 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 135.138 g/mol	logS: -0.25585	SlogP: 0.5663	Reactive groups: 1

Topological Properties
Globularity: 0.205854	Sterimol/B1: 2.15662	Sterimol/B2: 3.03379	Sterimol/B3: 3.1772
Sterimol/B4: 5.79441	Sterimol/L: 8.87047

Surface and Volume Properties
Accessible surface: 294.903	Positive charged surface: 178.778	Negative charged surface: 116.125	Volume: 122.625
Hydrophobic surface: 101.114	Hydrophilic surface: 193.789

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00023570
ALFAAESAR-ZINC02555198