MMsINC Database Search


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

MMsINC code: MMs02812957

Type: Neutral
Formula: C₅H₁₀NO₇P

SMILES:

P(OC(=O)CCC(N)C(O)=O)(O)(O)=O

InChI:

InChI=1/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-57.7836 kcal/mol

Physical Properties
Molecular Weight: 227.109 g/mol	logS: 0.788	SlogP: -2.2558	Reactive groups: 0

Topological Properties
Globularity: 0.0704238	Sterimol/B1: 3.16941	Sterimol/B2: 3.29503	Sterimol/B3: 3.31316
Sterimol/B4: 3.98879	Sterimol/L: 13.2593

Surface and Volume Properties
Accessible surface: 405.495	Positive charged surface: 232.163	Negative charged surface: 173.332	Volume: 170.625
Hydrophobic surface: 78.321	Hydrophilic surface: 327.174

Pharmacophoric Properties
Hydrogen bond donors: 6	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.