MMsINC Database Search


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

MMsINC code: MMs01086280

Type: Neutral
Formula: C₁₉H₃₀O₄P+

SMILES:

[P+](Cc1ccc(cc1)C(OC)=O)(C(C)C)(C(C)C)CC(OCC)=O

InChI:

InChI=1/C19H30O4P/c1-7-23-18(20)13-24(14(2)3,15(4)5)12-16-8-10-17(11-9-16)19(21)22-6/h8-11,14-15H,7,12-13H2,1-6H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6929 kcal/mol

Physical Properties
Molecular Weight: 353.419 g/mol	logS: -3.31521	SlogP: 4.6371	Reactive groups: 1

Topological Properties
Globularity: 0.118473	Sterimol/B1: 2.37856	Sterimol/B2: 4.05411	Sterimol/B3: 4.06038
Sterimol/B4: 8.44394	Sterimol/L: 17.3571

Surface and Volume Properties
Accessible surface: 612.493	Positive charged surface: 423.486	Negative charged surface: 189.007	Volume: 363.875
Hydrophobic surface: 461.739	Hydrophilic surface: 150.754

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

Ions/Tautomers related molecules: no related molecules available.