MMsINC Database Search


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MMsINC code: MMs03470980

Type: Neutral
Formula: C₇H₁₅N₂O₆P

SMILES:

P(O)(O)(=O)CC(=O)NCCCC(N)C(O)=O

InChI:

InChI=1/C7H15N2O6P/c8-5(7(11)12)2-1-3-9-6(10)4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H2,13,14,15)/t5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-34.037 kcal/mol

Physical Properties
Molecular Weight: 254.179 g/mol	logS: 0.81567	SlogP: -2.5978	Reactive groups: 0

Topological Properties
Globularity: 0.0532607	Sterimol/B1: 2.80195	Sterimol/B2: 3.6525	Sterimol/B3: 3.82669
Sterimol/B4: 3.83982	Sterimol/L: 15.4062

Surface and Volume Properties
Accessible surface: 465.679	Positive charged surface: 289.584	Negative charged surface: 176.095	Volume: 208.875
Hydrophobic surface: 144.319	Hydrophilic surface: 321.36

Pharmacophoric Properties
Hydrogen bond donors: 7	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: no related molecules available.