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ENAMINE-ZINC04513284

 MMsINC code: MMs01544338
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC12CCC(CC2)CC
InChI:   InChI=1/C16H26N4O4/c1-4-11-5-7-16(8-6-11)13(22)20(15(24)19-16)9-12(21)18-14(23)17-10(2)3/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,17,18,21,23)/t11-,16-

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Potential Energy
Epot(MMFF94)=13.5234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -3.59159  SlogP: 1.1114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0538056  Sterimol/B1: 2.44993  Sterimol/B2: 2.71628  Sterimol/B3: 4.62546
  Sterimol/B4: 7.45788  Sterimol/L: 18.498 
 
 Surface and Volume Properties
  Accessible surface: 601.003  Positive charged surface: 429.391  Negative charged surface: 171.612  Volume: 319.625
  Hydrophobic surface: 362.617  Hydrophilic surface: 238.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.