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MMsINC code: MMs02327741

Type: Neutral
Formula: C₁₄H₁₅N₂+

SMILES:

[NH3+]CCc1cc2[nH]c3c(c2cc1)cccc3

InChI:

InChI=1/C14H14N2/c15-8-7-10-5-6-12-11-3-1-2-4-13(11)16-14(12)9-10/h1-6,9,16H,7-8,15H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.5586 kcal/mol

Physical Properties
Molecular Weight: 211.288 g/mol	logS: -3.22346	SlogP: 2.10547	Reactive groups: 0

Topological Properties
Globularity: 0.028983	Sterimol/B1: 2.45783	Sterimol/B2: 3.07373	Sterimol/B3: 3.35434
Sterimol/B4: 4.83744	Sterimol/L: 14.862

Surface and Volume Properties
Accessible surface: 447.858	Positive charged surface: 293.425	Negative charged surface: 143.621	Volume: 222.625
Hydrophobic surface: 342.753	Hydrophilic surface: 105.105

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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Ions/Tautomers related molecules

MMs02327742
NCID-ZINC01697113