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PUBCHEM-ZINC05247768

 MMsINC code: MMs03227644
Type: Neutral
Formula: C21H38N4O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(CC)C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C21H38N4O5/c1-8-13(4)16(24-20(29)30-21(5,6)7)18(27)23-15(12(2)3)19(28)25-11-9-10-14(25)17(22)26/h12-16H,8-11H2,1-7H3,(H2,22,26)(H,23,27)(H,24,29)/t13-,14+,15-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=116.164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.558 g/mol  logS: -3.86837  SlogP: 1.5429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122124  Sterimol/B1: 2.09465  Sterimol/B2: 4.5978  Sterimol/B3: 6.03001
  Sterimol/B4: 7.00987  Sterimol/L: 17.3681 
 
 Surface and Volume Properties
  Accessible surface: 716.474  Positive charged surface: 505.495  Negative charged surface: 210.979  Volume: 427.5
  Hydrophobic surface: 438.118  Hydrophilic surface: 278.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.