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BACHEM-ZINC02561139

 MMsINC code: MMs00484219
Type: Neutral
Formula: C14H27N3O5
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)CC(C)C)CO
InChI:   InChI=1/C14H27N3O5/c1-7(2)5-9(16-13(20)11(15)8(3)4)12(19)17-10(6-18)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=79.3085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.386 g/mol  logS: -1.71051  SlogP: -0.9377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889132  Sterimol/B1: 2.22503  Sterimol/B2: 3.29955  Sterimol/B3: 4.79037
  Sterimol/B4: 7.96176  Sterimol/L: 15.409 
 
 Surface and Volume Properties
  Accessible surface: 575.832  Positive charged surface: 399.375  Negative charged surface: 176.457  Volume: 307.875
  Hydrophobic surface: 279.03  Hydrophilic surface: 296.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.