MMsINC Database Search


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

MMsINC code: MMs02828648

Type: Neutral
Formula: C₁₁H₁₈NO₃P

SMILES:

P(OC(C)C)(OC(C)C)(=O)c1ccncc1

InChI:

InChI=1/C11H18NO3P/c1-9(2)14-16(13,15-10(3)4)11-5-7-12-8-6-11/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.2988 kcal/mol

Physical Properties
Molecular Weight: 243.243 g/mol	logS: -1.48594	SlogP: 1.6798	Reactive groups: 0

Topological Properties
Globularity: 0.165626	Sterimol/B1: 2.39048	Sterimol/B2: 3.30724	Sterimol/B3: 4.80043
Sterimol/B4: 7.18197	Sterimol/L: 11.6763

Surface and Volume Properties
Accessible surface: 467.705	Positive charged surface: 317.615	Negative charged surface: 150.089	Volume: 237.875
Hydrophobic surface: 349.414	Hydrophilic surface: 118.291

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.