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CHEMDIV-ZINC03895692

 MMsINC code: MMs00917546
Type: Neutral
Formula: C16H30N2O3
SMILES:   O(CCNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C)C
InChI:   InChI=1/C16H30N2O3/c1-11(2)14(16(20)17-9-10-21-4)18-15(19)13-7-5-12(3)6-8-13/h11-14H,5-10H2,1-4H3,(H,17,20)(H,18,19)/t12-,13+,14-/m1/s1

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Potential Energy
Epot(MMFF94)=56.6024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.427 g/mol  logS: -3.17881  SlogP: 1.7161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100847  Sterimol/B1: 3.04618  Sterimol/B2: 3.40807  Sterimol/B3: 4.55856
  Sterimol/B4: 5.64124  Sterimol/L: 16.8071 
 
 Surface and Volume Properties
  Accessible surface: 567.799  Positive charged surface: 455.932  Negative charged surface: 111.866  Volume: 314.125
  Hydrophobic surface: 455.528  Hydrophilic surface: 112.271
 
 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.