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NCID-ZINC04723069

 MMsINC code: MMs02398056
Type: Neutral
Formula: C11H21N3O2
SMILES:   O=C1N(CCN(C)C)C(=O)NC1CC(C)C
InChI:   InChI=1/C11H21N3O2/c1-8(2)7-9-10(15)14(11(16)12-9)6-5-13(3)4/h8-9H,5-7H2,1-4H3,(H,12,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=13.0018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.308 g/mol  logS: -1.4918  SlogP: 0.5145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601573  Sterimol/B1: 2.43756  Sterimol/B2: 2.75692  Sterimol/B3: 3.93616
  Sterimol/B4: 4.86897  Sterimol/L: 15.1582 
 
 Surface and Volume Properties
  Accessible surface: 474.895  Positive charged surface: 367.419  Negative charged surface: 107.476  Volume: 235.625
  Hydrophobic surface: 331.741  Hydrophilic surface: 143.154
 
 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


MMs02398057
NCID-ZINC04723069