MMsINC Database Search


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

MMsINC code: MMs02359195

Type: Neutral
Formula: C₁₆H₂₆N₂O

SMILES:

O=C(N(Cc1ccccc1)CCCC)NC(C)(C)C

InChI:

InChI=1/C16H26N2O/c1-5-6-12-18(15(19)17-16(2,3)4)13-14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.3801 kcal/mol

Physical Properties
Molecular Weight: 262.397 g/mol	logS: -3.29207	SlogP: 4.0632	Reactive groups: 0

Topological Properties
Globularity: 0.145516	Sterimol/B1: 2.26463	Sterimol/B2: 3.60365	Sterimol/B3: 3.82109
Sterimol/B4: 10.1165	Sterimol/L: 12.8312

Surface and Volume Properties
Accessible surface: 541.513	Positive charged surface: 372.53	Negative charged surface: 168.983	Volume: 292.875
Hydrophobic surface: 450.026	Hydrophilic surface: 91.487

Pharmacophoric Properties
Hydrogen bond donors: 1	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.