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NCID-ZINC01859965

 MMsINC code: MMs02373301
Type: Neutral
Formula: C19H26N2O4
SMILES:   O=C1NC(=O)N(COCCCO)C(Cc2cc(cc(c2)C)C)=C1CC
InChI:   InChI=1/C19H26N2O4/c1-4-16-17(11-15-9-13(2)8-14(3)10-15)21(12-25-7-5-6-22)19(24)20-18(16)23/h8-10,22H,4-7,11-12H2,1-3H3,(H,20,23,24)

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Potential Energy
Epot(MMFF94)=53.3497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -3.76261  SlogP: 2.41831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218547  Sterimol/B1: 2.2946  Sterimol/B2: 2.32839  Sterimol/B3: 6.83406
  Sterimol/B4: 9.60168  Sterimol/L: 15.5639 
 
 Surface and Volume Properties
  Accessible surface: 611.59  Positive charged surface: 406.815  Negative charged surface: 204.775  Volume: 342.375
  Hydrophobic surface: 414.089  Hydrophilic surface: 197.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.