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NCID-ZINC05496435

 MMsINC code: MMs02467824
Type: Neutral
Formula: C16H30N2O3
SMILES:   O(C(=O)C1N(CCC1)C(=O)CNCCCCC)C(C)(C)C
InChI:   InChI=1/C16H30N2O3/c1-5-6-7-10-17-12-14(19)18-11-8-9-13(18)15(20)21-16(2,3)4/h13,17H,5-12H2,1-4H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=70.5609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.427 g/mol  logS: -2.92566  SlogP: 2.0989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378946  Sterimol/B1: 3.23765  Sterimol/B2: 3.63771  Sterimol/B3: 4.24022
  Sterimol/B4: 6.76159  Sterimol/L: 18.8419 
 
 Surface and Volume Properties
  Accessible surface: 615.14  Positive charged surface: 478.12  Negative charged surface: 137.02  Volume: 319.75
  Hydrophobic surface: 489.634  Hydrophilic surface: 125.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02467825
NCID-ZINC05496435