MMsINC Database Search


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MMsINC code: MMs02516744

Type: Neutral
Formula: C₈H₁₇O₇P

SMILES:

P(OCC)(O)(=O)CC1OC(CO)C(O)C1O

InChI:

InChI=1/C8H17O7P/c1-2-14-16(12,13)4-6-8(11)7(10)5(3-9)15-6/h5-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.2906 kcal/mol

Physical Properties
Molecular Weight: 256.191 g/mol	logS: 0.72273	SlogP: -2.3804	Reactive groups: 0

Topological Properties
Globularity: 0.0961809	Sterimol/B1: 2.51861	Sterimol/B2: 4.36397	Sterimol/B3: 4.73225
Sterimol/B4: 4.85579	Sterimol/L: 13.8412

Surface and Volume Properties
Accessible surface: 470.586	Positive charged surface: 351.595	Negative charged surface: 118.99	Volume: 214.875
Hydrophobic surface: 241.776	Hydrophilic surface: 228.81

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.