MMsINC Database Search


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MMsINC code: MMs00324418

Type: Neutral
Formula: C₁₄H₃₂N₂+2

SMILES:

[NH2+](CC[NH3+])C1CCCCCCCCCCC1

InChI:

InChI=1/C14H30N2/c15-12-13-16-14-10-8-6-4-2-1-3-5-7-9-11-14/h14,16H,1-13,15H2/p+2


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.37 kcal/mol

Physical Properties
Molecular Weight: 228.424 g/mol	logS: -3.56252	SlogP: 1.465	Reactive groups: 0

Topological Properties
Globularity: 0.147165	Sterimol/B1: 2.53316	Sterimol/B2: 4.61623	Sterimol/B3: 4.8902
Sterimol/B4: 5.62122	Sterimol/L: 14.0936

Surface and Volume Properties
Accessible surface: 493.242	Positive charged surface: 442.584	Negative charged surface: 50.6582	Volume: 276.75
Hydrophobic surface: 392.554	Hydrophilic surface: 100.688

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

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Ions/Tautomers related molecules

MMs00324420
ASINEX-ZINC04311527