MMsINC Database Search


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MMsINC code: MMs03090412

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)=-1.42694 kcal/mol

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

Topological Properties
Globularity: 0.0965106	Sterimol/B1: 3.26235	Sterimol/B2: 3.72173	Sterimol/B3: 4.27198
Sterimol/B4: 4.29394	Sterimol/L: 14.2603

Surface and Volume Properties
Accessible surface: 466.104	Positive charged surface: 308.088	Negative charged surface: 158.016	Volume: 216.625
Hydrophobic surface: 105.095	Hydrophilic surface: 361.009

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

MMs03090413
PUBCHEM-ZINC04097442