MMsINC Database Search


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MMsINC code: MMs00266258

Type: Neutral
Formula: C₂₂H₂₄N₂O₃

SMILES:

O(C)c1ccccc1N(CC1=Cc2c(NC1=O)cccc2)C(=O)C(C)(C)C

InChI:

InChI=1/C22H24N2O3/c1-22(2,3)21(26)24(18-11-7-8-12-19(18)27-4)14-16-13-15-9-5-6-10-17(15)23-20(16)25/h5-13H,14H2,1-4H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.081 kcal/mol

Physical Properties
Molecular Weight: 364.445 g/mol	logS: -4.77827	SlogP: 4.11	Reactive groups: 0

Topological Properties
Globularity: 0.192176	Sterimol/B1: 2.22171	Sterimol/B2: 3.31351	Sterimol/B3: 5.29251
Sterimol/B4: 8.51028	Sterimol/L: 14.6372

Surface and Volume Properties
Accessible surface: 566.451	Positive charged surface: 375.633	Negative charged surface: 190.818	Volume: 356.625
Hydrophobic surface: 457.542	Hydrophilic surface: 108.909

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.