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ENAMINE-ZINC03518134

 MMsINC code: MMs01487352
Type: Neutral
Formula: C14H20N2O3
SMILES:   O(C(=O)c1n(ccc1)C)C(C(=O)NC1CCCC1)C
InChI:   InChI=1/C14H20N2O3/c1-10(13(17)15-11-6-3-4-7-11)19-14(18)12-8-5-9-16(12)2/h5,8-11H,3-4,6-7H2,1-2H3,(H,15,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=35.4236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.325 g/mol  logS: -1.71246  SlogP: 1.9884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064035  Sterimol/B1: 2.20368  Sterimol/B2: 2.45635  Sterimol/B3: 5.40656
  Sterimol/B4: 5.65937  Sterimol/L: 16.3483 
 
 Surface and Volume Properties
  Accessible surface: 521.249  Positive charged surface: 352.488  Negative charged surface: 168.761  Volume: 263.375
  Hydrophobic surface: 409.55  Hydrophilic surface: 111.699
 
 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.