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MMsINC code: MMs03259642

Type: Neutral
Formula: C₁₉H₂₅N₃O₅

SMILES:

O(C)c1cc2c(NC(O)=C(C(=O)NCCN3CCCCC3)C2=O)cc1OC

InChI:

InChI=1/C19H25N3O5/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-6-9-22-7-4-3-5-8-22/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5396 kcal/mol

Physical Properties
Molecular Weight: 375.425 g/mol	logS: -2.80591	SlogP: 1.6837	Reactive groups: 1

Topological Properties
Globularity: 0.0186368	Sterimol/B1: 2.41407	Sterimol/B2: 3.09575	Sterimol/B3: 3.16573
Sterimol/B4: 9.64214	Sterimol/L: 20.5859

Surface and Volume Properties
Accessible surface: 657.382	Positive charged surface: 535.982	Negative charged surface: 121.4	Volume: 350
Hydrophobic surface: 516.165	Hydrophilic surface: 141.217

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs03259643
PUBCHEM-ZINC05408754