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CHEMDIV-ZINC02498146

 MMsINC code: MMs00881953
Type: Neutral
Formula: C15H22N2O2
SMILES:   o1nc(c2CC(CCc12)C(C)(C)C)C(=O)NCC=C
InChI:   InChI=1/C15H22N2O2/c1-5-8-16-14(18)13-11-9-10(15(2,3)4)6-7-12(11)19-17-13/h5,10H,1,6-9H2,2-4H3,(H,16,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=66.0037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.353 g/mol  logS: -3.9762  SlogP: 2.74134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562458  Sterimol/B1: 1.969  Sterimol/B2: 3.37945  Sterimol/B3: 4.75754
  Sterimol/B4: 6.15561  Sterimol/L: 16.3012 
 
 Surface and Volume Properties
  Accessible surface: 508.018  Positive charged surface: 327.869  Negative charged surface: 180.149  Volume: 268.75
  Hydrophobic surface: 322.394  Hydrophilic surface: 185.624
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.