MMsINC Database Search


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MMsINC code: MMs00189189

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)COc3ccccc3)c(cc1)C)cc(cc2)C

InChI:

InChI=1/C23H20N2O3/c1-15-8-11-21-20(12-15)25-23(28-21)17-10-9-16(2)19(13-17)24-22(26)14-27-18-6-4-3-5-7-18/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)=108.78 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.38175	SlogP: 5.12914	Reactive groups: 0

Topological Properties
Globularity: 0.00903724	Sterimol/B1: 2.62927	Sterimol/B2: 2.726	Sterimol/B3: 3.76925
Sterimol/B4: 9.27082	Sterimol/L: 20.0837

Surface and Volume Properties
Accessible surface: 683.674	Positive charged surface: 400.163	Negative charged surface: 283.511	Volume: 364
Hydrophobic surface: 599.478	Hydrophilic surface: 84.196

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.