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MMsINC code: MMs03201977

Type: Neutral
Formula: C₅H₁₂NO₆P

SMILES:

P(OCCCC(N)C(O)=O)(O)(O)=O

InChI:

InChI=1/C5H12NO6P/c6-4(5(7)8)2-1-3-12-13(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-55.6985 kcal/mol

Physical Properties
Molecular Weight: 213.126 g/mol	logS: 0.73368	SlogP: -1.7824	Reactive groups: 0

Topological Properties
Globularity: 0.0687612	Sterimol/B1: 2.53186	Sterimol/B2: 3.52251	Sterimol/B3: 3.68267
Sterimol/B4: 3.77566	Sterimol/L: 13.4238

Surface and Volume Properties
Accessible surface: 408.354	Positive charged surface: 252.351	Negative charged surface: 156.003	Volume: 168.625
Hydrophobic surface: 106.731	Hydrophilic surface: 301.623

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

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Ions/Tautomers related molecules

MMs03201978
PUBCHEM-ZINC05113880