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MMsINC code: MMs03201351

Type: Neutral
Formula: C₅H₁₀NO₇P

SMILES:

P(O)(O)(=O)NC(CCC(O)=O)C(O)=O

InChI:

InChI=1/C5H10NO7P/c7-4(8)2-1-3(5(9)10)6-14(11,12)13/h3H,1-2H2,(H,7,8)(H,9,10)(H3,6,11,12,13)/t3-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-80.7704 kcal/mol

Physical Properties
Molecular Weight: 227.109 g/mol	logS: 1.30632	SlogP: -2.0835	Reactive groups: 0

Topological Properties
Globularity: 0.120602	Sterimol/B1: 2.76807	Sterimol/B2: 3.127	Sterimol/B3: 4.09825
Sterimol/B4: 5.06534	Sterimol/L: 11.5714

Surface and Volume Properties
Accessible surface: 385.069	Positive charged surface: 210.858	Negative charged surface: 174.212	Volume: 166.125
Hydrophobic surface: 64.3172	Hydrophilic surface: 320.7518

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 7	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

MMs03201352
PUBCHEM-ZINC05112926