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ENAMINE-ZINC06652952

 MMsINC code: MMs01693334
Type: Neutral
Formula: C18H23N5O4
SMILES:   O=C1NC(=O)N(c2nc(n(c12)CC)COC(=O)c1n(ccc1)C)CCCC
InChI:   InChI=1/C18H23N5O4/c1-4-6-10-23-15-14(16(24)20-18(23)26)22(5-2)13(19-15)11-27-17(25)12-8-7-9-21(12)3/h7-9H,4-6,10-11H2,1-3H3,(H,20,24,26)

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Potential Energy
Epot(MMFF94)=-12.1039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.413 g/mol  logS: -2.63733  SlogP: 2.9604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123282  Sterimol/B1: 2.39375  Sterimol/B2: 3.53642  Sterimol/B3: 4.76889
  Sterimol/B4: 9.87618  Sterimol/L: 15.3523 
 
 Surface and Volume Properties
  Accessible surface: 632.786  Positive charged surface: 423.639  Negative charged surface: 209.147  Volume: 351.625
  Hydrophobic surface: 400.146  Hydrophilic surface: 232.64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.