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ENAMINE-ZINC03546330

 MMsINC code: MMs01501010
Type: Neutral
Formula: C12H16N4O5
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC(=O)NC)C1=O
InChI:   InChI=1/C12H16N4O5/c1-13-11(20)14-8(17)6-15-9(18)10(19)16(12(15)21)7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,13,14,17,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.283 g/mol  logS: -1.67283  SlogP: -0.8246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547837  Sterimol/B1: 2.54068  Sterimol/B2: 3.67  Sterimol/B3: 4.16307
  Sterimol/B4: 5.17278  Sterimol/L: 16.9043 
 
 Surface and Volume Properties
  Accessible surface: 513.031  Positive charged surface: 354.769  Negative charged surface: 158.262  Volume: 254.375
  Hydrophobic surface: 298.634  Hydrophilic surface: 214.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.