MMsINC Database Search


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MMsINC code: MMs02232042

Type: Neutral
Formula: C₁₀H₂₁N₂+

SMILES:

[NH+](=C(\N1CCCCC1)/C)/C(C)C

InChI:

InChI=1/C10H20N2/c1-9(2)11-10(3)12-7-5-4-6-8-12/h9H,4-8H2,1-3H3/p+1/b11-10+


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.17508 kcal/mol

Physical Properties
Molecular Weight: 169.292 g/mol	logS: -1.14343	SlogP: 0.3797	Reactive groups: 0

Topological Properties
Globularity: 0.116729	Sterimol/B1: 2.30763	Sterimol/B2: 2.67281	Sterimol/B3: 4.20865
Sterimol/B4: 5.62231	Sterimol/L: 11.7344

Surface and Volume Properties
Accessible surface: 408.011	Positive charged surface: 332.678	Negative charged surface: 75.3334	Volume: 198.125
Hydrophobic surface: 346.119	Hydrophilic surface: 61.892

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

MMs02232044
NCID-ZINC01572219