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BACHEM-ZINC02575495

 MMsINC code: MMs00484521
Type: Neutral
Formula: C11H18N4O3
SMILES:   OC(=O)C(NC(=O)C(N)Cc1nc[nH]c1)C(C)C
InChI:   InChI=1/C11H18N4O3/c1-6(2)9(11(17)18)15-10(16)8(12)3-7-4-13-5-14-7/h4-6,8-9H,3,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=55.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.29 g/mol  logS: -0.76757  SlogP: -0.49513  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108635  Sterimol/B1: 2.17496  Sterimol/B2: 3.22333  Sterimol/B3: 3.89431
  Sterimol/B4: 6.40185  Sterimol/L: 13.8275 
 
 Surface and Volume Properties
  Accessible surface: 476.193  Positive charged surface: 336.807  Negative charged surface: 139.386  Volume: 237.875
  Hydrophobic surface: 225.584  Hydrophilic surface: 250.609
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.