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ENAMINE-ZINC04515344

 MMsINC code: MMs01544902
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)N2CC(CC(C2)C)C)C(=O)NC12CCCCC2C
InChI:   InChI=1/C18H29N3O3/c1-12-8-13(2)10-20(9-12)15(22)11-21-16(23)18(19-17(21)24)7-5-4-6-14(18)3/h12-14H,4-11H2,1-3H3,(H,19,24)/t12-,13+,14-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=35.9475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -2.93167  SlogP: 1.9916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10465  Sterimol/B1: 2.46641  Sterimol/B2: 4.14647  Sterimol/B3: 4.76129
  Sterimol/B4: 7.03868  Sterimol/L: 14.7678 
 
 Surface and Volume Properties
  Accessible surface: 581.883  Positive charged surface: 427.498  Negative charged surface: 154.385  Volume: 331.375
  Hydrophobic surface: 422.917  Hydrophilic surface: 158.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.