MMsINC Database Search


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MMsINC code: MMs03212265

Type: Neutral
Formula: C₁₉H₂₅N₂+

SMILES:

[N+](C)(C)(C)c1ccc(cc1)\C=C\c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H25N2/c1-20(2)18-12-8-16(9-13-18)6-7-17-10-14-19(15-11-17)21(3,4)5/h6-15H,1-5H3/q+1/b7-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.656 kcal/mol

Physical Properties
Molecular Weight: 281.423 g/mol	logS: -3.9835	SlogP: 4.1197	Reactive groups: 0

Topological Properties
Globularity: 0.0184576	Sterimol/B1: 2.87558	Sterimol/B2: 3.5745	Sterimol/B3: 3.57477
Sterimol/B4: 5.08494	Sterimol/L: 18.5348

Surface and Volume Properties
Accessible surface: 573.458	Positive charged surface: 431.309	Negative charged surface: 142.148	Volume: 313.875
Hydrophobic surface: 524.689	Hydrophilic surface: 48.769

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.