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MMsINC code: MMs03152108

Type: Ionized
Formula: C₁₅H₂₁N₂+

SMILES:

[NH2+]1CCC(CC1)CCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.6441 kcal/mol

Physical Properties
Molecular Weight: 229.347 g/mol	logS: -2.59629	SlogP: 2.07387	Reactive groups: 0

Topological Properties
Globularity: 0.061211	Sterimol/B1: 2.52719	Sterimol/B2: 2.72505	Sterimol/B3: 3.95922
Sterimol/B4: 6.65335	Sterimol/L: 14.7073

Surface and Volume Properties
Accessible surface: 483.743	Positive charged surface: 365.348	Negative charged surface: 113.963	Volume: 252.75
Hydrophobic surface: 381.68	Hydrophilic surface: 102.063

Pharmacophoric Properties
Hydrogen bond donors: 1	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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Parent related molecule:

MMs03152107
PUBCHEM-ZINC04674528