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PUBCHEM-ZINC05420194

 MMsINC code: MMs03263680
Type: Neutral
Formula: C16H27NO2
SMILES:   O=C(NO)C(CC)C=1CCC(CC=1)C1CCCCC1
InChI:   InChI=1/C16H27NO2/c1-2-15(16(18)17-19)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h10,12-13,15,19H,2-9,11H2,1H3,(H,17,18)/t13-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=68.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.397 g/mol  logS: -5.34611  SlogP: 3.8248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108629  Sterimol/B1: 2.02354  Sterimol/B2: 2.88922  Sterimol/B3: 4.29769
  Sterimol/B4: 7.0967  Sterimol/L: 15.582 
 
 Surface and Volume Properties
  Accessible surface: 513.162  Positive charged surface: 380.265  Negative charged surface: 132.897  Volume: 282.375
  Hydrophobic surface: 372.408  Hydrophilic surface: 140.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.