MMsINC Database Search


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MMsINC code: MMs02516745

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)=36.0394 kcal/mol

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

Topological Properties
Globularity: 0.0621399	Sterimol/B1: 2.62794	Sterimol/B2: 4.2228	Sterimol/B3: 4.79501
Sterimol/B4: 4.99862	Sterimol/L: 13.975

Surface and Volume Properties
Accessible surface: 467.395	Positive charged surface: 338.186	Negative charged surface: 129.209	Volume: 216.25
Hydrophobic surface: 234.531	Hydrophilic surface: 232.864

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.