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PUBCHEM-ZINC04308955

 MMsINC code: MMs03113034
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)N(C)C2CCCCC2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C18H29N3O3/c1-13-8-6-7-11-18(13)16(23)21(17(24)19-18)12-15(22)20(2)14-9-4-3-5-10-14/h13-14H,3-12H2,1-2H3,(H,19,24)/t13-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=35.7603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -3.24512  SlogP: 2.2782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101498  Sterimol/B1: 2.58507  Sterimol/B2: 2.71885  Sterimol/B3: 5.05573
  Sterimol/B4: 6.04799  Sterimol/L: 15.8475 
 
 Surface and Volume Properties
  Accessible surface: 574.39  Positive charged surface: 439.426  Negative charged surface: 134.964  Volume: 332.5
  Hydrophobic surface: 464.006  Hydrophilic surface: 110.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.