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MMsINC code: MMs03505187

Type: Neutral
Formula: C₈H₁₅N₂O₆P

SMILES:

P(O)(O)(=O)NC(C(=O)N1CCCC1C(O)=O)C

InChI:

InChI=1/C8H15N2O6P/c1-5(9-17(14,15)16)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4H2,1H3,(H,12,13)(H3,9,14,15,16)/t5-,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-42.1066 kcal/mol

Physical Properties
Molecular Weight: 266.19 g/mol	logS: 0.43968	SlogP: -1.9374	Reactive groups: 0

Topological Properties
Globularity: 0.160881	Sterimol/B1: 2.51529	Sterimol/B2: 2.79463	Sterimol/B3: 5.35943
Sterimol/B4: 5.75596	Sterimol/L: 12.1783

Surface and Volume Properties
Accessible surface: 442.811	Positive charged surface: 260.518	Negative charged surface: 182.294	Volume: 216.75
Hydrophobic surface: 171.858	Hydrophilic surface: 270.953

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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

MMs03505188
PUBCHEM-ZINC06032463