MMsINC Database Search


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MMsINC code: MMs03090410

Type: Neutral
Formula: C₇H₁₅O₁₀P

SMILES:

P(OCC(O)C1OC(O)C(O)C(O)C1O)(O)(O)=O

InChI:

InChI=1/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/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)=-1.93424 kcal/mol

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

Topological Properties
Globularity: 0.0766975	Sterimol/B1: 3.03198	Sterimol/B2: 3.57442	Sterimol/B3: 4.28593
Sterimol/B4: 4.89795	Sterimol/L: 14.2503

Surface and Volume Properties
Accessible surface: 467.906	Positive charged surface: 307.282	Negative charged surface: 160.624	Volume: 214.625
Hydrophobic surface: 106.387	Hydrophilic surface: 361.519

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

MMs03090411
PUBCHEM-ZINC04097441