MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00555517

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.8987 kcal/mol

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

Topological Properties
Globularity: 0.132639	Sterimol/B1: 2.68055	Sterimol/B2: 2.7977	Sterimol/B3: 3.62682
Sterimol/B4: 6.61288	Sterimol/L: 10.5686

Surface and Volume Properties
Accessible surface: 365.421	Positive charged surface: 192.073	Negative charged surface: 173.348	Volume: 155.75
Hydrophobic surface: 142.086	Hydrophilic surface: 223.335

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

search links for this molecule:

Ions/Tautomers related molecules

MMs00555518
CHEMBLOCK-ZINC04535453