MMsINC Database Search


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

MMsINC code: MMs00264381

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1ccc2c(cccc2)c1\C=N\CC\N=C\c1c2c(ccc1O)cccc2

InChI:

InChI=1/C24H20N2O2/c27-23-11-9-17-5-1-3-7-19(17)21(23)15-25-13-14-26-16-22-20-8-4-2-6-18(20)10-12-24(22)28/h1-12,15-16,27-28H,13-14H2/b25-15+,26-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.088 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.41284	SlogP: 4.9422	Reactive groups: 0

Topological Properties
Globularity: 0.0368522	Sterimol/B1: 2.41255	Sterimol/B2: 2.52441	Sterimol/B3: 4.1482
Sterimol/B4: 7.39266	Sterimol/L: 19.1858

Surface and Volume Properties
Accessible surface: 674.295	Positive charged surface: 406.629	Negative charged surface: 244.158	Volume: 367
Hydrophobic surface: 571.615	Hydrophilic surface: 102.68

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.