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MMsINC code: MMs03078916

Type: Neutral
Formula: C₆H₁₄NO₈P

SMILES:

P(OCC1OC(O)C(N)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-11.8937 kcal/mol

Physical Properties
Molecular Weight: 259.151 g/mol	logS: 1.56847	SlogP: -4.2082	Reactive groups: 0

Topological Properties
Globularity: 0.110647	Sterimol/B1: 3.11938	Sterimol/B2: 3.34781	Sterimol/B3: 3.91155
Sterimol/B4: 4.5674	Sterimol/L: 12.9568

Surface and Volume Properties
Accessible surface: 431.003	Positive charged surface: 288.88	Negative charged surface: 142.123	Volume: 193.75
Hydrophobic surface: 103.451	Hydrophilic surface: 327.552

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 9	Acid groups: 0	Basic groups: 0
Chiral centers: 5

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03078917
PUBCHEM-ZINC03869796