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ASINEX-ZINC04969328

 MMsINC code: MMs00418340
Type: Neutral
Formula: C11H23N3O
SMILES:   O=C(N1CCCC1)C(NCCN(C)C)C
InChI:   InChI=1/C11H23N3O/c1-10(12-6-9-13(2)3)11(15)14-7-4-5-8-14/h10,12H,4-9H2,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=49.3419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.325 g/mol  logS: -0.20154  SlogP: 0.1485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866348  Sterimol/B1: 2.31256  Sterimol/B2: 2.38855  Sterimol/B3: 4.61544
  Sterimol/B4: 5.68906  Sterimol/L: 15.3816 
 
 Surface and Volume Properties
  Accessible surface: 479.486  Positive charged surface: 406.363  Negative charged surface: 73.1229  Volume: 235.125
  Hydrophobic surface: 410.222  Hydrophilic surface: 69.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00418341
ASINEX-ZINC04969328