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ENAMINE-ZINC03357031

 MMsINC code: MMs01393387
Type: Neutral
Formula: C13H26N4O2
SMILES:   O=C(N1CCN(CC1)CC(=O)NC(C)(C)C)CNC
InChI:   InChI=1/C13H26N4O2/c1-13(2,3)15-11(18)10-16-5-7-17(8-6-16)12(19)9-14-4/h14H,5-10H2,1-4H3,(H,15,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.1758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.377 g/mol  logS: -0.62499  SlogP: -0.7353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529504  Sterimol/B1: 2.01515  Sterimol/B2: 3.9035  Sterimol/B3: 4.77738
  Sterimol/B4: 5.09097  Sterimol/L: 17.1949 
 
 Surface and Volume Properties
  Accessible surface: 541.992  Positive charged surface: 447.634  Negative charged surface: 94.3579  Volume: 281.5
  Hydrophobic surface: 402.326  Hydrophilic surface: 139.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01393388
ENAMINE-ZINC03357031