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ENAMINE-ZINC03487486

 MMsINC code: MMs01469277
Type: Neutral
Formula: C11H18N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC)C(=O)NC1CC(C)C
InChI:   InChI=1/C11H18N4O4/c1-6(2)4-7-9(17)15(11(19)13-7)5-8(16)14-10(18)12-3/h6-7H,4-5H2,1-3H3,(H,13,19)(H2,12,14,16,18)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.58059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.289 g/mol  logS: -1.99501  SlogP: -0.5915  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447921  Sterimol/B1: 2.01231  Sterimol/B2: 3.60915  Sterimol/B3: 4.13125
  Sterimol/B4: 5.37405  Sterimol/L: 17.5432 
 
 Surface and Volume Properties
  Accessible surface: 510.468  Positive charged surface: 361.292  Negative charged surface: 149.176  Volume: 247.375
  Hydrophobic surface: 259.578  Hydrophilic surface: 250.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.