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MMsINC code: MMs02269129

Type: Neutral
Formula: C₁₁H₁₅O₆P

SMILES:

P(OC(C(O)(C(=O)C)C)c1ccccc1)(O)(O)=O

InChI:

InChI=1/C11H15O6P/c1-8(12)11(2,13)10(17-18(14,15)16)9-6-4-3-5-7-9/h3-7,10,13H,1-2H3,(H2,14,15,16)/t10-,11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-17.5772 kcal/mol

Physical Properties
Molecular Weight: 274.209 g/mol	logS: -1.40686	SlogP: 0.2023	Reactive groups: 0

Topological Properties
Globularity: 0.210853	Sterimol/B1: 2.88424	Sterimol/B2: 3.23111	Sterimol/B3: 4.21577
Sterimol/B4: 7.50359	Sterimol/L: 12.3261

Surface and Volume Properties
Accessible surface: 450.746	Positive charged surface: 238.909	Negative charged surface: 211.837	Volume: 233.125
Hydrophobic surface: 269.668	Hydrophilic surface: 181.078

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02269130
NCID-ZINC01621186