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NCID-ZINC05368386

 MMsINC code: MMs02454762
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C(NC(C)C)C1C2CC(CC2)C1C(=O)NC(C)C
InChI:   InChI=1/C15H26N2O2/c1-8(2)16-14(18)12-10-5-6-11(7-10)13(12)15(19)17-9(3)4/h8-13H,5-7H2,1-4H3,(H,16,18)(H,17,19)/t10-,11+,12-,13+

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Potential Energy
Epot(MMFF94)=98.2776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.75348  SlogP: 1.6979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16533  Sterimol/B1: 2.6298  Sterimol/B2: 3.37345  Sterimol/B3: 4.35386
  Sterimol/B4: 7.84326  Sterimol/L: 12.7948 
 
 Surface and Volume Properties
  Accessible surface: 498.989  Positive charged surface: 381.2  Negative charged surface: 117.789  Volume: 276.375
  Hydrophobic surface: 385.746  Hydrophilic surface: 113.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.