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PUBCHEM-ZINC04217342

 MMsINC code: MMs03102414
Type: Neutral
Formula: C17H28N4O4
SMILES:   O=C1NC(CCC1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C17H28N4O4/c1-10(2)9-12(17(25)21-8-4-6-13(21)15(18)23)20-16(24)11-5-3-7-14(22)19-11/h10-13H,3-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,24)/t11-,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=99.5781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.435 g/mol  logS: -2.82692  SlogP: -0.3377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140859  Sterimol/B1: 2.96607  Sterimol/B2: 3.98547  Sterimol/B3: 5.80919
  Sterimol/B4: 5.84161  Sterimol/L: 15.733 
 
 Surface and Volume Properties
  Accessible surface: 596.826  Positive charged surface: 428.96  Negative charged surface: 167.866  Volume: 335.125
  Hydrophobic surface: 373.806  Hydrophilic surface: 223.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.