MMsINC Database Search


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MMsINC code: MMs03544860

Type: Neutral
Formula: C₈H₁₁O₅P

SMILES:

P(OCCOc1ccccc1)(O)(O)=O

InChI:

InChI=1/C8H11O5P/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-37.1307 kcal/mol

Physical Properties
Molecular Weight: 218.145 g/mol	logS: -1.0203	SlogP: 0.1045	Reactive groups: 0

Topological Properties
Globularity: 0.0517891	Sterimol/B1: 2.59286	Sterimol/B2: 3.55503	Sterimol/B3: 3.58054
Sterimol/B4: 3.62272	Sterimol/L: 13.6153

Surface and Volume Properties
Accessible surface: 427.622	Positive charged surface: 241.858	Negative charged surface: 185.764	Volume: 182.25
Hydrophobic surface: 268.814	Hydrophilic surface: 158.808

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

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

MMs03544861
PUBCHEM-ZINC06115979