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NCID-ZINC01657649

 MMsINC code: MMs02295737
Type: Neutral
Formula: C15H21NO3
SMILES:   O1CC(C1)(C(C)(C)C)COC(=O)c1ccc(N)cc1
InChI:   InChI=1/C15H21NO3/c1-14(2,3)15(8-18-9-15)10-19-13(17)11-4-6-12(16)7-5-11/h4-7H,8-10,16H2,1-3H3

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Potential Energy
Epot(MMFF94)=82.6321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.337 g/mol  logS: -3.60273  SlogP: 2.4883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606669  Sterimol/B1: 2.31265  Sterimol/B2: 3.19871  Sterimol/B3: 4.742
  Sterimol/B4: 4.90988  Sterimol/L: 15.6531 
 
 Surface and Volume Properties
  Accessible surface: 495.446  Positive charged surface: 289.278  Negative charged surface: 160.42  Volume: 267.875
  Hydrophobic surface: 312.517  Hydrophilic surface: 182.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.