MMsINC Database Search


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MMsINC code: MMs01681869

Type: Neutral
Formula: C₁₉H₂₃N₃O₄

SMILES:

o1nc(C)c(CN2C(=O)C(NC2=O)(CCc2ccc(OC)cc2)C)c1C

InChI:

InChI=1/C19H23N3O4/c1-12-16(13(2)26-21-12)11-22-17(23)19(3,20-18(22)24)10-9-14-5-7-15(25-4)8-6-14/h5-8H,9-11H2,1-4H3,(H,20,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8947 kcal/mol

Physical Properties
Molecular Weight: 357.41 g/mol	logS: -3.48425	SlogP: 3.00971	Reactive groups: 0

Topological Properties
Globularity: 0.0636846	Sterimol/B1: 2.19739	Sterimol/B2: 3.53088	Sterimol/B3: 4.3522
Sterimol/B4: 7.1678	Sterimol/L: 18.8142

Surface and Volume Properties
Accessible surface: 604.119	Positive charged surface: 380.776	Negative charged surface: 223.344	Volume: 340.25
Hydrophobic surface: 477.87	Hydrophilic surface: 126.249

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.