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IBS-ZINC05025153

 MMsINC code: MMs01913288
Type: Neutral
Formula: C14H21N3O4
SMILES:   O=C\1N(C2CCCCC2)C(=O)NC(=O)/C/1=C(\NCCO)/C
InChI:   InChI=1/C14H21N3O4/c1-9(15-7-8-18)11-12(19)16-14(21)17(13(11)20)10-5-3-2-4-6-10/h10,15,18H,2-8H2,1H3,(H,16,19,21)/b11-9-

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Potential Energy
Epot(MMFF94)=26.5535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.339 g/mol  logS: -2.04566  SlogP: 0.2534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736987  Sterimol/B1: 3.36297  Sterimol/B2: 3.57433  Sterimol/B3: 3.67348
  Sterimol/B4: 7.02685  Sterimol/L: 14.2793 
 
 Surface and Volume Properties
  Accessible surface: 516.889  Positive charged surface: 380.277  Negative charged surface: 136.612  Volume: 272.125
  Hydrophobic surface: 345.626  Hydrophilic surface: 171.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01913289
IBS-ZINC05025153