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MMsINC code: MMs01261524

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(C(=O)c1c2c(nc(-c3ccccc3)c1C)cccc2)CC(=O)N1CCCC1

InChI:

InChI=1/C23H22N2O3/c1-16-21(23(27)28-15-20(26)25-13-7-8-14-25)18-11-5-6-12-19(18)24-22(16)17-9-3-2-4-10-17/h2-6,9-12H,7-8,13-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.115 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.52976	SlogP: 3.98942	Reactive groups: 0

Topological Properties
Globularity: 0.0443157	Sterimol/B1: 3.09927	Sterimol/B2: 4.06878	Sterimol/B3: 4.37229
Sterimol/B4: 8.77991	Sterimol/L: 18.4683

Surface and Volume Properties
Accessible surface: 659.686	Positive charged surface: 406.003	Negative charged surface: 246.65	Volume: 364.25
Hydrophobic surface: 575.22	Hydrophilic surface: 84.466

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.