MMsINC Database Search


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MMsINC code: MMs03201972

Type: Neutral
Formula: C₅H₁₀FNO₂

SMILES:

FCCCC(N)C(O)=O

InChI:

InChI=1/C5H10FNO2/c6-3-1-2-4(7)5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.2376 kcal/mol

Physical Properties
Molecular Weight: 135.138 g/mol	logS: -0.00497	SlogP: 0.148	Reactive groups: 1

Topological Properties
Globularity: 0.127346	Sterimol/B1: 2.57339	Sterimol/B2: 3.17269	Sterimol/B3: 3.4764
Sterimol/B4: 3.58027	Sterimol/L: 10.1287

Surface and Volume Properties
Accessible surface: 315.376	Positive charged surface: 210.461	Negative charged surface: 104.915	Volume: 123.375
Hydrophobic surface: 130.439	Hydrophilic surface: 184.937

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: no related molecules available.