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CHEMDIV-ZINC03895697

 MMsINC code: MMs00917548
Type: Neutral
Formula: C18H32N2O3
SMILES:   O1CCCC1CNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C
InChI:   InChI=1/C18H32N2O3/c1-12(2)16(18(22)19-11-15-5-4-10-23-15)20-17(21)14-8-6-13(3)7-9-14/h12-16H,4-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,14+,15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=70.9711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.465 g/mol  logS: -3.73119  SlogP: 2.2487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726313  Sterimol/B1: 2.70038  Sterimol/B2: 3.73625  Sterimol/B3: 3.79183
  Sterimol/B4: 6.07118  Sterimol/L: 17.7106 
 
 Surface and Volume Properties
  Accessible surface: 590.42  Positive charged surface: 458.432  Negative charged surface: 131.988  Volume: 336.25
  Hydrophobic surface: 475.411  Hydrophilic surface: 115.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.