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CHEMBRIDGE-ZINC00475077

 MMsINC code: MMs00628752
Type: Neutral
Formula: C16H27NO3
SMILES:   OC(=O)C1CCCCC1C(=O)NC1CCCCCCC1
InChI:   InChI=1/C16H27NO3/c18-15(13-10-6-7-11-14(13)16(19)20)17-12-8-4-2-1-3-5-9-12/h12-14H,1-11H2,(H,17,18)(H,19,20)/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=75.6259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.396 g/mol  logS: -3.35631  SlogP: 3.1065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113591  Sterimol/B1: 3.47552  Sterimol/B2: 4.33607  Sterimol/B3: 4.69723
  Sterimol/B4: 5.4963  Sterimol/L: 14.3248 
 
 Surface and Volume Properties
  Accessible surface: 516.075  Positive charged surface: 385.172  Negative charged surface: 130.903  Volume: 285.875
  Hydrophobic surface: 415.206  Hydrophilic surface: 100.869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00628753
CHEMBRIDGE-ZINC00475077