MMsINC Database Search


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

MMsINC code: MMs00532653

Type: Neutral
Formula: C₂₄H₁₈N₂O₂

SMILES:

O=C(C(=O)N1CCc2c1cccc2)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H18N2O2/c27-23(24(28)26-15-14-16-8-4-7-13-20(16)26)21-18-11-5-6-12-19(18)25-22(21)17-9-2-1-3-10-17/h1-13,25H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.727 kcal/mol

Physical Properties
Molecular Weight: 366.42 g/mol	logS: -6.44918	SlogP: 4.60687	Reactive groups: 0

Topological Properties
Globularity: 0.22684	Sterimol/B1: 2.81871	Sterimol/B2: 4.28036	Sterimol/B3: 5.20375
Sterimol/B4: 8.99776	Sterimol/L: 13.9508

Surface and Volume Properties
Accessible surface: 593.157	Positive charged surface: 329.884	Negative charged surface: 259.67	Volume: 352.25
Hydrophobic surface: 526.05	Hydrophilic surface: 67.107

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.