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MMsINC code: MMs03807972

Type: Ionized
Formula: C₁₄H₁₁O₅P-2

SMILES:

P(OC(C(=O)c1ccccc1)c1ccccc1)(=O)([O-])[O-]

InChI:

InChI=1/C14H13O5P/c15-13(11-7-3-1-4-8-11)14(19-20(16,17)18)12-9-5-2-6-10-12/h1-10,14H,(H2,16,17,18)/p-2/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4183 kcal/mol

Physical Properties
Molecular Weight: 290.211 g/mol	logS: -3.18577	SlogP: 0.4812	Reactive groups: 0

Topological Properties
Globularity: 0.17975	Sterimol/B1: 2.73501	Sterimol/B2: 3.18044	Sterimol/B3: 4.76163
Sterimol/B4: 7.82485	Sterimol/L: 12.8077

Surface and Volume Properties
Accessible surface: 478.217	Positive charged surface: 191.854	Negative charged surface: 286.364	Volume: 249.875
Hydrophobic surface: 341.873	Hydrophilic surface: 136.344

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 3	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs03807971
PUBCHEM-ZINC06582056