MMsINC Database Search


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MMsINC code: MMs00446191

Type: Neutral
Formula: C₈H₉O₄P

SMILES:

P1(O)(=O)COc2c(OC1)cccc2

InChI:

InChI=1/C8H9O4P/c9-13(10)5-11-7-3-1-2-4-8(7)12-6-13/h1-4H,5-6H2,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2391 kcal/mol

Physical Properties
Molecular Weight: 200.13 g/mol	logS: -0.46658	SlogP: 0.573	Reactive groups: 0

Topological Properties
Globularity: 0.0715733	Sterimol/B1: 2.48486	Sterimol/B2: 3.37977	Sterimol/B3: 3.5596
Sterimol/B4: 4.58374	Sterimol/L: 11.0542

Surface and Volume Properties
Accessible surface: 364.256	Positive charged surface: 216.007	Negative charged surface: 148.249	Volume: 167.5
Hydrophobic surface: 257.309	Hydrophilic surface: 106.947

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00446192
AURORAFEINCHEMIE-ZINC00190559