MMsINC Database Search


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

MMsINC code: MMs02915481

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NC(C)c1ccccc1)c1ccc(N(CC)CC)cc1

InChI:

InChI=1/C19H24N2O/c1-4-21(5-2)18-13-11-17(12-14-18)19(22)20-15(3)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,20,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8969 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -4.20795	SlogP: 4.1193	Reactive groups: 0

Topological Properties
Globularity: 0.044742	Sterimol/B1: 2.47609	Sterimol/B2: 2.53004	Sterimol/B3: 4.21025
Sterimol/B4: 7.11261	Sterimol/L: 16.8584

Surface and Volume Properties
Accessible surface: 582.438	Positive charged surface: 361.318	Negative charged surface: 221.12	Volume: 318.5
Hydrophobic surface: 472.967	Hydrophilic surface: 109.471

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.