MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00446192

Type: Ionized
Formula: C₈H₈O₄P-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1532 kcal/mol

Physical Properties
Molecular Weight: 199.122 g/mol	logS: -0.5381	SlogP: -0.059	Reactive groups: 0

Topological Properties
Globularity: 0.0824443	Sterimol/B1: 2.74691	Sterimol/B2: 3.26917	Sterimol/B3: 3.45682
Sterimol/B4: 4.66529	Sterimol/L: 10.7481

Surface and Volume Properties
Accessible surface: 354.307	Positive charged surface: 190.187	Negative charged surface: 164.121	Volume: 162.25
Hydrophobic surface: 253.339	Hydrophilic surface: 100.968

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00446191
AURORAFEINCHEMIE-ZINC00190559