MMsINC Database Search


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MMsINC code: MMs00671746

Type: Neutral
Formula: C₂₃H₂₀N₂O₄

SMILES:

o1c2c(nc1-c1ccc(NC(=O)Cc3cc(OC)c(OC)cc3)cc1)cccc2

InChI:

InChI=1/C23H20N2O4/c1-27-20-12-7-15(13-21(20)28-2)14-22(26)24-17-10-8-16(9-11-17)23-25-18-5-3-4-6-19(18)29-23/h3-13H,14H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.482 kcal/mol

Physical Properties
Molecular Weight: 388.423 g/mol	logS: -6.83277	SlogP: 4.69317	Reactive groups: 0

Topological Properties
Globularity: 0.0586728	Sterimol/B1: 2.10058	Sterimol/B2: 3.89785	Sterimol/B3: 5.44489
Sterimol/B4: 8.03969	Sterimol/L: 20.8527

Surface and Volume Properties
Accessible surface: 693.343	Positive charged surface: 470.188	Negative charged surface: 223.155	Volume: 367.125
Hydrophobic surface: 599.572	Hydrophilic surface: 93.771

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.