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MMsINC code: MMs00922350

Type: Neutral
Formula: C₁₅H₂₅N₂+

SMILES:

[NH2+](Cc1ccc(N(C)C)cc1)C1CCCCC1

InChI:

InChI=1/C15H24N2/c1-17(2)15-10-8-13(9-11-15)12-16-14-6-4-3-5-7-14/h8-11,14,16H,3-7,12H2,1-2H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.4523 kcal/mol

Physical Properties
Molecular Weight: 233.379 g/mol	logS: -2.49954	SlogP: 2.4151	Reactive groups: 0

Topological Properties
Globularity: 0.0516675	Sterimol/B1: 2.35662	Sterimol/B2: 3.27919	Sterimol/B3: 3.53603
Sterimol/B4: 4.83947	Sterimol/L: 16.5673

Surface and Volume Properties
Accessible surface: 511.452	Positive charged surface: 430.465	Negative charged surface: 80.9877	Volume: 268
Hydrophobic surface: 487.867	Hydrophilic surface: 23.585

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

MMs00922351
CHEMDIV-ZINC04004120