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MMsINC code: MMs00573961

Type: Neutral
Formula: C₁₉H₁₉N₂+

SMILES:

[nH+]1c2c(CCCC2c2ccccc2)c(N)c2c1cccc2

InChI:

InChI=1/C19H18N2/c20-18-15-9-4-5-12-17(15)21-19-14(10-6-11-16(18)19)13-7-2-1-3-8-13/h1-5,7-9,12,14H,6,10-11H2,(H2,20,21)/p+1/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3352 kcal/mol

Physical Properties
Molecular Weight: 275.375 g/mol	logS: -4.40118	SlogP: 3.70427	Reactive groups: 0

Topological Properties
Globularity: 0.116491	Sterimol/B1: 3.47598	Sterimol/B2: 3.79005	Sterimol/B3: 4.32389
Sterimol/B4: 7.87725	Sterimol/L: 12.882

Surface and Volume Properties
Accessible surface: 510.17	Positive charged surface: 331.416	Negative charged surface: 173.87	Volume: 287
Hydrophobic surface: 454.101	Hydrophilic surface: 56.069

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 1

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

MMs00573962
CHEMBLOCK-ZINC04722805