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ENAMINE-ZINC03531976

 MMsINC code: MMs01494223
Type: Neutral
Formula: C11H17N3O3
SMILES:   O=C1N(CC(=O)N)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C11H17N3O3/c12-8(15)6-14-10(16)9(13-11(14)17)7-4-2-1-3-5-7/h7,9H,1-6H2,(H2,12,15)(H,13,17)/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.10358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.275 g/mol  logS: -2.48742  SlogP: -0.0276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110587  Sterimol/B1: 3.24926  Sterimol/B2: 3.26823  Sterimol/B3: 3.70332
  Sterimol/B4: 5.0422  Sterimol/L: 13.0791 
 
 Surface and Volume Properties
  Accessible surface: 436.891  Positive charged surface: 313.387  Negative charged surface: 123.504  Volume: 220.5
  Hydrophobic surface: 233.344  Hydrophilic surface: 203.547
 
 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.