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MMsINC code: MMs02300357

Type: Neutral
Formula: C₇H₁₀FNO₅

SMILES:

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

InChI:

InChI=1/C7H10FNO5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.0874 kcal/mol

Physical Properties
Molecular Weight: 207.157 g/mol	logS: -0.16217	SlogP: -0.6099	Reactive groups: 1

Topological Properties
Globularity: 0.0936729	Sterimol/B1: 2.57449	Sterimol/B2: 3.32776	Sterimol/B3: 4.75915
Sterimol/B4: 4.80944	Sterimol/L: 11.7825

Surface and Volume Properties
Accessible surface: 386.576	Positive charged surface: 224.788	Negative charged surface: 161.788	Volume: 167.25
Hydrophobic surface: 106.737	Hydrophilic surface: 279.839

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs02300358
NCID-ZINC01664045