MMsINC Database Search


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

MMsINC code: MMs00813789

Type: Neutral
Formula: C₁₉H₃₃O₂P

SMILES:

P(=O)(Cc1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)(CC)CC

InChI:

InChI=1/C19H33O2P/c1-9-22(21,10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2698 kcal/mol

Physical Properties
Molecular Weight: 324.445 g/mol	logS: -4.57489	SlogP: 5.0863	Reactive groups: 0

Topological Properties
Globularity: 0.1805	Sterimol/B1: 2.13363	Sterimol/B2: 4.42083	Sterimol/B3: 5.93859
Sterimol/B4: 7.70451	Sterimol/L: 13.1355

Surface and Volume Properties
Accessible surface: 582.937	Positive charged surface: 404.042	Negative charged surface: 178.895	Volume: 353.75
Hydrophobic surface: 419.737	Hydrophilic surface: 163.2

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.