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CHEMDIV-ZINC03895763

MMsINC code: MMs00917582

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-/m0/s1

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Potential Energy
Epot(MMFF94)=64.7057 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: 0.0913227  Sterimol/B1: 2.64551  Sterimol/B2: 4.38721  Sterimol/B3: 5.84519
  Sterimol/B4: 5.85435  Sterimol/L: 19.8982 
 
 Surface and Volume Properties
  Accessible surface: 683.691  Positive charged surface: 538.278  Negative charged surface: 145.413  Volume: 386.25
  Hydrophobic surface: 546.413  Hydrophilic surface: 137.278
 
 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.