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CHEMBRIDGE-ZINC04185365

 MMsINC code: MMs00765251
Type: Neutral
Formula: C18H28N2O2
SMILES:   O=C(N1CCCC1)CNC(=O)CC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C18H28N2O2/c21-16(19-12-17(22)20-3-1-2-4-20)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h13-15H,1-12H2,(H,19,21)/t13-,14+,15-,18-

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Potential Energy
Epot(MMFF94)=68.6649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.434 g/mol  logS: -4.92206  SlogP: 2.3315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561889  Sterimol/B1: 2.73574  Sterimol/B2: 3.30922  Sterimol/B3: 4.11774
  Sterimol/B4: 5.26974  Sterimol/L: 17.0134 
 
 Surface and Volume Properties
  Accessible surface: 554.207  Positive charged surface: 455.12  Negative charged surface: 99.0875  Volume: 307.125
  Hydrophobic surface: 486.725  Hydrophilic surface: 67.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.