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MMsINC code: MMs01529017

Type: Neutral
Formula: C₁₀H₁₃N₂+

SMILES:

[NH2+](Cc1c2c([nH]c1)cccc2)C

InChI:

InChI=1/C10H12N2/c1-11-6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,11-12H,6H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.1182 kcal/mol

Physical Properties
Molecular Weight: 161.228 g/mol	logS: -1.39089	SlogP: 1.1275	Reactive groups: 0

Topological Properties
Globularity: 0.0562098	Sterimol/B1: 2.47515	Sterimol/B2: 3.12272	Sterimol/B3: 3.74182
Sterimol/B4: 5.0704	Sterimol/L: 11.8681

Surface and Volume Properties
Accessible surface: 375.374	Positive charged surface: 269.238	Negative charged surface: 101.708	Volume: 174.25
Hydrophobic surface: 271.49	Hydrophilic surface: 103.884

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

MMs01529018
ENAMINE-ZINC03887874