MMsINC Database Search


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

MMsINC code: MMs02451654

Type: Neutral
Formula: C₁₈H₂₉N₂P

SMILES:

P(N1CCCCC1C)(N1CCCCC1C)c1ccccc1

InChI:

InChI=1/C18H29N2P/c1-16-10-6-8-14-19(16)21(18-12-4-3-5-13-18)20-15-9-7-11-17(20)2/h3-5,12-13,16-17H,6-11,14-15H2,1-2H3/t16-,17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.613 kcal/mol

Physical Properties
Molecular Weight: 304.418 g/mol	logS: -2.78406	SlogP: 4.3726	Reactive groups: 1

Topological Properties
Globularity: 0.239609	Sterimol/B1: 3.44054	Sterimol/B2: 4.4176	Sterimol/B3: 4.68924
Sterimol/B4: 6.71233	Sterimol/L: 12.2038

Surface and Volume Properties
Accessible surface: 514.386	Positive charged surface: 398.887	Negative charged surface: 115.499	Volume: 316.625
Hydrophobic surface: 489.164	Hydrophilic surface: 25.222

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

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.