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CHEMDIV-ZINC06865969

 MMsINC code: MMs01048306
Type: Neutral
Formula: C15H19N3O3
SMILES:   O1CCCC1CNC(=O)NCc1noc2c1cc(cc2)C
InChI:   InChI=1/C15H19N3O3/c1-10-4-5-14-12(7-10)13(18-21-14)9-17-15(19)16-8-11-3-2-6-20-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,16,17,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=21.6555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.335 g/mol  logS: -3.18712  SlogP: 2.38082  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0547199  Sterimol/B1: 2.20446  Sterimol/B2: 2.69218  Sterimol/B3: 4.37026
  Sterimol/B4: 7.47376  Sterimol/L: 16.6227 
 
 Surface and Volume Properties
  Accessible surface: 561.222  Positive charged surface: 378.133  Negative charged surface: 178.591  Volume: 276.75
  Hydrophobic surface: 450.301  Hydrophilic surface: 110.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.