MMsINC Database Search


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

MMsINC code: MMs01917440

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccc(cc1C)C

InChI:

InChI=1/C24H20N2O2/c1-16-11-13-21(17(2)15-16)26-23(14-12-18-7-3-6-10-22(18)27)25-20-9-5-4-8-19(20)24(26)28/h3-15,27H,1-2H3/b14-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.501 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.45548	SlogP: 5.41284	Reactive groups: 0

Topological Properties
Globularity: 0.097679	Sterimol/B1: 2.43628	Sterimol/B2: 3.56532	Sterimol/B3: 4.83363
Sterimol/B4: 11.4496	Sterimol/L: 16.0911

Surface and Volume Properties
Accessible surface: 639.204	Positive charged surface: 352.602	Negative charged surface: 286.602	Volume: 364
Hydrophobic surface: 562.491	Hydrophilic surface: 76.713

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.