MMsINC Database Search


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

MMsINC code: MMs00059673

Type: Neutral
Formula: C₂₀H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1cccnc1

InChI:

InChI=1/C20H18N2O/c23-20(19-12-7-13-21-14-19)22(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.217 kcal/mol

Physical Properties
Molecular Weight: 302.377 g/mol	logS: -3.70268	SlogP: 4.457	Reactive groups: 0

Topological Properties
Globularity: 0.11309	Sterimol/B1: 2.5267	Sterimol/B2: 3.4847	Sterimol/B3: 3.68861
Sterimol/B4: 10.7495	Sterimol/L: 13.6168

Surface and Volume Properties
Accessible surface: 545.963	Positive charged surface: 311.049	Negative charged surface: 234.914	Volume: 308.25
Hydrophobic surface: 493.415	Hydrophilic surface: 52.548

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.