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MMsINC code: MMs00584829

Type: Neutral
Formula: C₁₅H₁₉N₃O₄

SMILES:

o1cccc1C(=O)N1CCN(CC1)C(=O)C=1CCCNC=1O

InChI:

InChI=1/C15H19N3O4/c19-13-11(3-1-5-16-13)14(20)17-6-8-18(9-7-17)15(21)12-4-2-10-22-12/h2,4,10,16,19H,1,3,5-9H2


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4269 kcal/mol

Physical Properties
Molecular Weight: 305.334 g/mol	logS: -1.63693	SlogP: 0.717	Reactive groups: 0

Topological Properties
Globularity: 0.105823	Sterimol/B1: 3.01024	Sterimol/B2: 3.83389	Sterimol/B3: 4.00544
Sterimol/B4: 7.15191	Sterimol/L: 14.6731

Surface and Volume Properties
Accessible surface: 524.227	Positive charged surface: 367.323	Negative charged surface: 156.904	Volume: 282
Hydrophobic surface: 385.402	Hydrophilic surface: 138.825

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00584832
CHEMBRIDGE-ZINC00047118