MMsINC Database Search


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

MMsINC code: MMs00803332

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C(=O)Nc1ccccc1C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C25H20N2O2/c1-17-7-2-5-12-23(17)27-24(28)19-13-15-20(16-14-19)26-25(29)22-11-6-9-18-8-3-4-10-21(18)22/h2-16H,1H3,(H,26,29)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.9 kcal/mol

Physical Properties
Molecular Weight: 380.447 g/mol	logS: -7.36321	SlogP: 5.65282	Reactive groups: 0

Topological Properties
Globularity: 0.0278148	Sterimol/B1: 2.36384	Sterimol/B2: 3.11951	Sterimol/B3: 4.68682
Sterimol/B4: 6.48497	Sterimol/L: 21.1965

Surface and Volume Properties
Accessible surface: 665.919	Positive charged surface: 351.833	Negative charged surface: 302.338	Volume: 374.875
Hydrophobic surface: 609.894	Hydrophilic surface: 56.025

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.