MMsINC Database Search


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

MMsINC code: MMs03003426

Type: Neutral
Formula: C₁₅H₂₆NP

SMILES:

P(N(CC)CC)(Cc1ccccc1)C(C)(C)C

InChI:

InChI=1/C15H26NP/c1-6-16(7-2)17(15(3,4)5)13-14-11-9-8-10-12-14/h8-12H,6-7,13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.284 kcal/mol

Physical Properties
Molecular Weight: 251.354 g/mol	logS: -2.42856	SlogP: 4.9902	Reactive groups: 1

Topological Properties
Globularity: 0.252452	Sterimol/B1: 2.32442	Sterimol/B2: 2.36882	Sterimol/B3: 6.14951
Sterimol/B4: 6.59469	Sterimol/L: 13.0609

Surface and Volume Properties
Accessible surface: 488.068	Positive charged surface: 320.54	Negative charged surface: 167.529	Volume: 275.875
Hydrophobic surface: 397.888	Hydrophilic surface: 90.18

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

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.