MMsINC Database Search


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MMsINC code: MMs02300359

Type: Neutral
Formula: C₇H₁₁FN₂O₄

SMILES:

FCC(=O)NC(CCC(=O)N)C(O)=O

InChI:

InChI=1/C7H11FN2O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4631 kcal/mol

Physical Properties
Molecular Weight: 206.173 g/mol	logS: -0.44489	SlogP: -1.2092	Reactive groups: 1

Topological Properties
Globularity: 0.0891605	Sterimol/B1: 2.57488	Sterimol/B2: 3.37427	Sterimol/B3: 4.52441
Sterimol/B4: 5.20686	Sterimol/L: 11.7144

Surface and Volume Properties
Accessible surface: 395.195	Positive charged surface: 243.578	Negative charged surface: 151.618	Volume: 172.375
Hydrophobic surface: 102.966	Hydrophilic surface: 292.229

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02300360
NCID-ZINC01664046