MMsINC Database Search


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

MMsINC code: MMs03098432

Type: Neutral
Formula: C₁₉H₂₈N₂O₂

SMILES:

Oc1ccccc1C(=O)NN=C1CCCCCCCCCCC1

InChI:

InChI=1/C19H28N2O2/c22-18-15-11-10-14-17(18)19(23)21-20-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-15,22H,1-9,12-13H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.542 kcal/mol

Physical Properties
Molecular Weight: 316.445 g/mol	logS: -5.62986	SlogP: 4.7827	Reactive groups: 0

Topological Properties
Globularity: 0.139153	Sterimol/B1: 3.49112	Sterimol/B2: 4.15812	Sterimol/B3: 4.24895
Sterimol/B4: 6.49196	Sterimol/L: 15.335

Surface and Volume Properties
Accessible surface: 568.459	Positive charged surface: 379.702	Negative charged surface: 188.757	Volume: 331.5
Hydrophobic surface: 482.451	Hydrophilic surface: 86.008

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.