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PUBCHEM-ZINC00011622

 MMsINC code: MMs02626472
Type: Neutral
Formula: C17H22N2O3
SMILES:   O(Cc1ccccc1)C(=O)N1CCCC1C(=O)N1CCCC1
InChI:   InChI=1/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=47.1622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.374 g/mol  logS: -2.67318  SlogP: 2.6764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683455  Sterimol/B1: 3.37328  Sterimol/B2: 3.83259  Sterimol/B3: 3.93408
  Sterimol/B4: 5.88984  Sterimol/L: 17.2853 
 
 Surface and Volume Properties
  Accessible surface: 582.823  Positive charged surface: 410.934  Negative charged surface: 171.889  Volume: 301.375
  Hydrophobic surface: 526.261  Hydrophilic surface: 56.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.