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MMsINC code: MMs03905911

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+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-15.2079 kcal/mol

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

Topological Properties
Globularity: 0.0816397	Sterimol/B1: 2.69746	Sterimol/B2: 2.7805	Sterimol/B3: 3.62155
Sterimol/B4: 6.36961	Sterimol/L: 14.6479

Surface and Volume Properties
Accessible surface: 503.735	Positive charged surface: 330.843	Negative charged surface: 172.892	Volume: 238.875
Hydrophobic surface: 144.816	Hydrophilic surface: 358.919

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

MMs03905912
PUBCHEM-ZINC06932128