MMsINC Database Search


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

MMsINC code: MMs02294520

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O=C(C(C)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)C

InChI:

InChI=1/C20H26N2O/c1-15(23)20(2,16-7-11-18(12-8-16)21(3)4)17-9-13-19(14-10-17)22(5)6/h7-14H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.118 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -3.45767	SlogP: 3.7136	Reactive groups: 0

Topological Properties
Globularity: 0.126346	Sterimol/B1: 2.14569	Sterimol/B2: 3.50619	Sterimol/B3: 6.21809
Sterimol/B4: 7.21118	Sterimol/L: 16.085

Surface and Volume Properties
Accessible surface: 576.359	Positive charged surface: 442.317	Negative charged surface: 134.042	Volume: 333.25
Hydrophobic surface: 530.963	Hydrophilic surface: 45.396

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.