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MMsINC code: MMs02314188

Type: Neutral
Formula: C₁₂H₁₅N₂+

SMILES:

[NH2+](Cc1ccccc1)Cc1[nH]ccc1

InChI:

InChI=1/C12H14N2/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13-14H,9-10H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.6855 kcal/mol

Physical Properties
Molecular Weight: 187.266 g/mol	logS: -1.46503	SlogP: 1.8111	Reactive groups: 0

Topological Properties
Globularity: 0.117459	Sterimol/B1: 2.14492	Sterimol/B2: 3.47551	Sterimol/B3: 3.9165
Sterimol/B4: 4.70428	Sterimol/L: 13.5955

Surface and Volume Properties
Accessible surface: 438.964	Positive charged surface: 277.741	Negative charged surface: 161.223	Volume: 208.125
Hydrophobic surface: 353.176	Hydrophilic surface: 85.788

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

MMs02314189
NCID-ZINC01679613