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NCID-ZINC01763816

 MMsINC code: MMs02368710
Type: Neutral
Formula: C16H28N2O2
SMILES:   O=C(NC(C)C)C1C2CCC(CC2)C1C(=O)NC(C)C
InChI:   InChI=1/C16H28N2O2/c1-9(2)17-15(19)13-11-5-7-12(8-6-11)14(13)16(20)18-10(3)4/h9-14H,5-8H2,1-4H3,(H,17,19)(H,18,20)/t11-,12+,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=46.9257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.412 g/mol  logS: -3.2687  SlogP: 2.088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190981  Sterimol/B1: 2.44548  Sterimol/B2: 2.85118  Sterimol/B3: 4.55993
  Sterimol/B4: 9.93702  Sterimol/L: 10.8729 
 
 Surface and Volume Properties
  Accessible surface: 520.16  Positive charged surface: 381.595  Negative charged surface: 138.565  Volume: 294
  Hydrophobic surface: 403.479  Hydrophilic surface: 116.681
 
 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.