MMsINC Database Search


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MMsINC code: MMs03090414

Type: Neutral
Formula: C₇H₁₅O₁₀P

SMILES:

P(OC1OC(C(O)CO)C(O)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.42257 kcal/mol

Physical Properties
Molecular Weight: 290.161 g/mol	logS: 1.66491	SlogP: -4.8137	Reactive groups: 0

Topological Properties
Globularity: 0.130629	Sterimol/B1: 3.09943	Sterimol/B2: 3.27799	Sterimol/B3: 3.50298
Sterimol/B4: 7.97866	Sterimol/L: 11.6952

Surface and Volume Properties
Accessible surface: 458.635	Positive charged surface: 306.62	Negative charged surface: 152.014	Volume: 214.75
Hydrophobic surface: 105.427	Hydrophilic surface: 353.208

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

MMs03090415
PUBCHEM-ZINC04097443