MMsINC Database Search


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MMsINC code: MMs02268558

Type: Neutral
Formula: C₆H₁₅N₂O₅P

SMILES:

P(O)(O)(=O)C(N)CCCC(N)C(O)=O

InChI:

InChI=1/C6H15N2O5P/c7-4(6(9)10)2-1-3-5(8)14(11,12)13/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.1583 kcal/mol

Physical Properties
Molecular Weight: 226.169 g/mol	logS: 1.21438	SlogP: -2.0391	Reactive groups: 0

Topological Properties
Globularity: 0.0850012	Sterimol/B1: 2.60767	Sterimol/B2: 3.62157	Sterimol/B3: 3.87647
Sterimol/B4: 3.95379	Sterimol/L: 12.7714

Surface and Volume Properties
Accessible surface: 410.362	Positive charged surface: 264.218	Negative charged surface: 146.144	Volume: 188.625
Hydrophobic surface: 100.121	Hydrophilic surface: 310.241

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