MMsINC Database Search


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

MMsINC code: MMs02347758

Type: Neutral
Formula: C₁₅H₃₁N₃

SMILES:

N(C(CCN1CCCCC1)CN1CCCCC1)C

InChI:

InChI=1/C15H31N3/c1-16-15(14-18-11-6-3-7-12-18)8-13-17-9-4-2-5-10-17/h15-16H,2-14H2,1H3/t15-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0475 kcal/mol

Physical Properties
Molecular Weight: 253.434 g/mol	logS: -0.86333	SlogP: 1.9363	Reactive groups: 0

Topological Properties
Globularity: 0.0800011	Sterimol/B1: 2.51644	Sterimol/B2: 3.06639	Sterimol/B3: 4.44549
Sterimol/B4: 6.21598	Sterimol/L: 16.4993

Surface and Volume Properties
Accessible surface: 532.181	Positive charged surface: 473.577	Negative charged surface: 58.6042	Volume: 288.625
Hydrophobic surface: 515.735	Hydrophilic surface: 16.446

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02347760
NCID-ZINC01723490