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CHEMDIV-ZINC03895762

 MMsINC code: MMs00917581
Type: Neutral
Formula: C20H35N3O4
SMILES:   O(CC)C(=O)N1CCN(CC1)C(=O)C(NC(=O)C1CCCCC1)CC(C)C
InChI:   InChI=1/C20H35N3O4/c1-4-27-20(26)23-12-10-22(11-13-23)19(25)17(14-15(2)3)21-18(24)16-8-6-5-7-9-16/h15-17H,4-14H2,1-3H3,(H,21,24)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=74.6824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.517 g/mol  logS: -3.86308  SlogP: 2.3983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961486  Sterimol/B1: 2.11083  Sterimol/B2: 2.99059  Sterimol/B3: 6.45344
  Sterimol/B4: 7.12599  Sterimol/L: 19.9963 
 
 Surface and Volume Properties
  Accessible surface: 682.902  Positive charged surface: 532.913  Negative charged surface: 149.989  Volume: 388.625
  Hydrophobic surface: 543.071  Hydrophilic surface: 139.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.