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PUBCHEM-ZINC06906791

 MMsINC code: MMs03897201
Type: Neutral
Formula: C15H27N3O3
SMILES:   O=C1N(CC(=O)NC(C)(C)C)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C15H27N3O3/c1-10(2)7-8-15(6)12(20)18(13(21)17-15)9-11(19)16-14(3,4)5/h10H,7-9H2,1-6H3,(H,16,19)(H,17,21)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=35.5462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.399 g/mol  logS: -3.59054  SlogP: 1.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564979  Sterimol/B1: 2.16179  Sterimol/B2: 3.53142  Sterimol/B3: 4.23563
  Sterimol/B4: 5.58723  Sterimol/L: 17.749 
 
 Surface and Volume Properties
  Accessible surface: 572.249  Positive charged surface: 393.401  Negative charged surface: 178.847  Volume: 302.875
  Hydrophobic surface: 343.884  Hydrophilic surface: 228.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.