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MMsINC code: MMs03905043

Type: Neutral
Formula: C₈H₁₈NO₉P

SMILES:

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

InChI:

InChI=1/C8H18NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h3-13H,2H2,1H3,(H2,14,15,16)/t3-,4-,5+,6+,7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.7151 kcal/mol

Physical Properties
Molecular Weight: 303.204 g/mol	logS: 1.48749	SlogP: -4.239	Reactive groups: 0

Topological Properties
Globularity: 0.149283	Sterimol/B1: 2.18171	Sterimol/B2: 2.6401	Sterimol/B3: 4.83774
Sterimol/B4: 7.2343	Sterimol/L: 14.2942

Surface and Volume Properties
Accessible surface: 493.225	Positive charged surface: 336.73	Negative charged surface: 156.494	Volume: 236
Hydrophobic surface: 154.199	Hydrophilic surface: 339.026

Pharmacophoric Properties
Hydrogen bond donors: 8	Hydrogen bond acceptors: 10	Acid groups: 0	Basic groups: 0
Chiral centers: 6

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

MMs03905044
PUBCHEM-ZINC06929635