MMsINC Database Search


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

MMsINC code: MMs03965084

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O(C)c1cc2c([nH]cc2CCNC(=O)c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C24H22N2O2/c1-28-21-11-12-23-22(15-21)20(16-26-23)13-14-25-24(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15-16,26H,13-14H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5508 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.12704	SlogP: 4.81597	Reactive groups: 0

Topological Properties
Globularity: 0.0432127	Sterimol/B1: 2.55886	Sterimol/B2: 3.96856	Sterimol/B3: 4.59626
Sterimol/B4: 8.74615	Sterimol/L: 21.0288

Surface and Volume Properties
Accessible surface: 679.787	Positive charged surface: 400.356	Negative charged surface: 264.004	Volume: 371.625
Hydrophobic surface: 578.624	Hydrophilic surface: 101.163

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.