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MMsINC code: MMs00550683

Type: Neutral
Formula: C₅H₁₀NO₅P

SMILES:

[PH](O)(=O)CC(NC(=O)C)C(O)=O

InChI:

InChI=1/C5H10NO5P/c1-3(7)6-4(5(8)9)2-12(10)11/h4,12H,2H2,1H3,(H,6,7)(H,8,9)(H,10,11)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.33211 kcal/mol

Physical Properties
Molecular Weight: 195.111 g/mol	logS: 0.20126	SlogP: -2.0275	Reactive groups: 0

Topological Properties
Globularity: 0.130855	Sterimol/B1: 2.79413	Sterimol/B2: 2.8589	Sterimol/B3: 3.36208
Sterimol/B4: 6.60646	Sterimol/L: 10.5696

Surface and Volume Properties
Accessible surface: 363.532	Positive charged surface: 191.96	Negative charged surface: 171.572	Volume: 155.625
Hydrophobic surface: 151.462	Hydrophilic surface: 212.07

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

MMs00550684
CHEMBLOCK-ZINC04410251