MMsINC Database Search


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

MMsINC code: MMs00931471

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(nc1-c1ccc(NC(=O)c3ccc(cc3)C)cc1)cc(cc2C)C

InChI:

InChI=1/C23H20N2O2/c1-14-4-6-17(7-5-14)22(26)24-19-10-8-18(9-11-19)23-25-20-13-15(2)12-16(3)21(20)27-23/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.26 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.77885	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.00807647	Sterimol/B1: 2.80722	Sterimol/B2: 2.97236	Sterimol/B3: 4.26188
Sterimol/B4: 4.71901	Sterimol/L: 22.1149

Surface and Volume Properties
Accessible surface: 665.099	Positive charged surface: 388.181	Negative charged surface: 276.918	Volume: 352.375
Hydrophobic surface: 592.596	Hydrophilic surface: 72.503

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.