MMsINC Database Search


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

MMsINC code: MMs00292315

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1c2c(nc1\C=C\c1ccc(cc1)\C=C\c1oc3c(n1)cccc3)cccc2

InChI:

InChI=1/C24H16N2O2/c1-3-7-21-19(5-1)25-23(27-21)15-13-17-9-11-18(12-10-17)14-16-24-26-20-6-2-4-8-22(20)28-24/h1-16H/b15-13+,16-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7456 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -6.8031	SlogP: 6.3098	Reactive groups: 0

Topological Properties
Globularity: 1.49679e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10576	Sterimol/B3: 3.25716
Sterimol/B4: 5.50502	Sterimol/L: 23.7553

Surface and Volume Properties
Accessible surface: 676.38	Positive charged surface: 341.647	Negative charged surface: 334.733	Volume: 356
Hydrophobic surface: 582.913	Hydrophilic surface: 93.467

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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.