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ENAMINE-ZINC04469294

 MMsINC code: MMs01539720
Type: Neutral
Formula: C15H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C15H24N4O4/c1-9(2)16-13(22)17-11(20)8-19-12(21)15(18-14(19)23)6-4-10(3)5-7-15/h9-10H,4-8H2,1-3H3,(H,18,23)(H2,16,17,20,22)/t10-,15+

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Potential Energy
Epot(MMFF94)=5.0074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -3.07637  SlogP: 0.7213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445709  Sterimol/B1: 2.793  Sterimol/B2: 3.76193  Sterimol/B3: 4.20679
  Sterimol/B4: 5.23371  Sterimol/L: 18.7073 
 
 Surface and Volume Properties
  Accessible surface: 581.229  Positive charged surface: 403.372  Negative charged surface: 177.857  Volume: 304.5
  Hydrophobic surface: 342.312  Hydrophilic surface: 238.917
 
 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: no related molecules available.