MMsINC Database Search


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

MMsINC code: MMs02267190

Type: Neutral
Formula: C₁₅H₃₂N₄

SMILES:

N(C(CC=1CCCC=1CC(N(C)C)CN)CN)(C)C

InChI:

InChI=1/C15H32N4/c1-18(2)14(10-16)8-12-6-5-7-13(12)9-15(11-17)19(3)4/h14-15H,5-11,16-17H2,1-4H3/t14-,15+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.655 kcal/mol

Physical Properties
Molecular Weight: 268.449 g/mol	logS: -0.11268	SlogP: 1.0249	Reactive groups: 0

Topological Properties
Globularity: 0.20757	Sterimol/B1: 3.81934	Sterimol/B2: 3.98736	Sterimol/B3: 5.16921
Sterimol/B4: 5.56979	Sterimol/L: 12.3845

Surface and Volume Properties
Accessible surface: 513.958	Positive charged surface: 463.303	Negative charged surface: 50.656	Volume: 303.25
Hydrophobic surface: 413.139	Hydrophilic surface: 100.819

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02267192
NCID-ZINC01618323