MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02631286

Type: Neutral
Formula: C₁₉H₂₄N₂

SMILES:

N(=C\c1ccc(N(CC)CC)cc1)/c1cc(cc(c1)C)C

InChI:

InChI=1/C19H24N2/c1-5-21(6-2)19-9-7-17(8-10-19)14-20-18-12-15(3)11-16(4)13-18/h7-14H,5-6H2,1-4H3/b20-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0302 kcal/mol

Physical Properties
Molecular Weight: 280.415 g/mol	logS: -4.83929	SlogP: 4.90024	Reactive groups: 0

Topological Properties
Globularity: 0.0587633	Sterimol/B1: 1.98176	Sterimol/B2: 3.02727	Sterimol/B3: 5.8249
Sterimol/B4: 5.92988	Sterimol/L: 16.4549

Surface and Volume Properties
Accessible surface: 588.461	Positive charged surface: 391.518	Negative charged surface: 196.944	Volume: 314.75
Hydrophobic surface: 514.328	Hydrophilic surface: 74.133

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.