MMsINC Database Search


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

MMsINC code: MMs02700893

Type: Neutral
Formula: C₁₉H₂₃N₃O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)C)-c1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C19H23N3O2/c1-19(2,3)13-9-7-12(8-10-13)16-15-14(11-20(16)4)21(5)18(24)22(6)17(15)23/h7-11H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7729 kcal/mol

Physical Properties
Molecular Weight: 325.412 g/mol	logS: -4.47791	SlogP: 3.9906	Reactive groups: 0

Topological Properties
Globularity: 0.0498522	Sterimol/B1: 2.96021	Sterimol/B2: 4.04607	Sterimol/B3: 4.76749
Sterimol/B4: 6.25451	Sterimol/L: 15.9754

Surface and Volume Properties
Accessible surface: 573.772	Positive charged surface: 422.093	Negative charged surface: 151.679	Volume: 327.25
Hydrophobic surface: 442.06	Hydrophilic surface: 131.712

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.