MMsINC Database Search


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MMsINC code: MMs02192377

Type: Neutral
Formula: C₈H₁₁O₄P

SMILES:

[PH](O)(=O)c1ccc(OC)cc1OC

InChI:

InChI=1/C8H11O4P/c1-11-6-3-4-8(13(9)10)7(5-6)12-2/h3-5,13H,1-2H3,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.1121 kcal/mol

Physical Properties
Molecular Weight: 202.146 g/mol	logS: -1.54759	SlogP: -0.2741	Reactive groups: 0

Topological Properties
Globularity: 0.0422749	Sterimol/B1: 2.38626	Sterimol/B2: 2.84739	Sterimol/B3: 4.25368
Sterimol/B4: 5.28883	Sterimol/L: 11.7832

Surface and Volume Properties
Accessible surface: 397.928	Positive charged surface: 260.976	Negative charged surface: 136.952	Volume: 177.625
Hydrophobic surface: 297.554	Hydrophilic surface: 100.374

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	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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Ions/Tautomers related molecules: no related molecules available.