MMsINC Database Search


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

MMsINC code: MMs00171418

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

o1c2c(nc1-c1cccc(NC(=O)c3cc(OC)cc(OC)c3)c1C)cccc2

InChI:

InChI=1/C23H20N2O4/c1-14-18(23-25-20-8-4-5-10-21(20)29-23)7-6-9-19(14)24-22(26)15-11-16(27-2)13-17(12-15)28-3/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)=121.946 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.93177	SlogP: 5.07272	Reactive groups: 0

Topological Properties
Globularity: 0.0215205	Sterimol/B1: 2.74855	Sterimol/B2: 3.58524	Sterimol/B3: 5.00676
Sterimol/B4: 6.78342	Sterimol/L: 20.6706

Surface and Volume Properties
Accessible surface: 661.566	Positive charged surface: 429.181	Negative charged surface: 232.385	Volume: 369.75
Hydrophobic surface: 577.379	Hydrophilic surface: 84.187

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.