MMsINC Database Search


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

MMsINC code: MMs01178959

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2c(cc1C(=O)N(C(C)c1ccccc1)Cc1ncccc1)cccc2

InChI:

InChI=1/C23H20N2O2/c1-17(18-9-3-2-4-10-18)25(16-20-12-7-8-14-24-20)23(26)22-15-19-11-5-6-13-21(19)27-22/h2-15,17H,16H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.115 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.78106	SlogP: 5.5933	Reactive groups: 0

Topological Properties
Globularity: 0.204487	Sterimol/B1: 2.44827	Sterimol/B2: 4.559	Sterimol/B3: 5.57122
Sterimol/B4: 6.98963	Sterimol/L: 15.3443

Surface and Volume Properties
Accessible surface: 583.644	Positive charged surface: 356.561	Negative charged surface: 222.953	Volume: 350.5
Hydrophobic surface: 530.138	Hydrophilic surface: 53.506

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.