MMsINC Database Search


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MMsINC code: MMs03090411

Type: Ionized
Formula: C₇H₁₃O₁₀P-2

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)/p-2/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)=5.53755 kcal/mol

Physical Properties
Molecular Weight: 288.145 g/mol	logS: 1.52187	SlogP: -6.0777	Reactive groups: 0

Topological Properties
Globularity: 0.0855184	Sterimol/B1: 2.87071	Sterimol/B2: 3.29395	Sterimol/B3: 3.55303
Sterimol/B4: 5.12079	Sterimol/L: 12.8906

Surface and Volume Properties
Accessible surface: 424.814	Positive charged surface: 220.663	Negative charged surface: 204.151	Volume: 203.875
Hydrophobic surface: 129.716	Hydrophilic surface: 295.098

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	Acid groups: 3	Basic groups: 0
Chiral centers: 6

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Parent related molecule:

MMs03090410
PUBCHEM-ZINC04097441