MMsINC Database Search


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MMsINC code: MMs03481209

Type: Neutral
Formula: C₆H₁₀FNO₄

SMILES:

FC(CC(N)C(O)=O)C(OC)=O

InChI:

InChI=1/C6H10FNO4/c1-12-6(11)3(7)2-4(8)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)/t3-,4-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6425 kcal/mol

Physical Properties
Molecular Weight: 179.147 g/mol	logS: -0.21137	SlogP: -0.2806	Reactive groups: 0

Topological Properties
Globularity: 0.0857228	Sterimol/B1: 2.7338	Sterimol/B2: 3.30907	Sterimol/B3: 3.76337
Sterimol/B4: 3.98239	Sterimol/L: 11.9197

Surface and Volume Properties
Accessible surface: 366.054	Positive charged surface: 242.846	Negative charged surface: 123.208	Volume: 149.875
Hydrophobic surface: 146.396	Hydrophilic surface: 219.658

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.