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PUBCHEM-ZINC06615089

 MMsINC code: MMs03820256
Type: Neutral
Formula: C15H25N3O5
SMILES:   OC1C(NC(=O)CC(C)(C)C)C=C(CC1O)C(=O)NCC(=O)N
InChI:   InChI=1/C15H25N3O5/c1-15(2,3)6-12(21)18-9-4-8(5-10(19)13(9)22)14(23)17-7-11(16)20/h4,9-10,13,19,22H,5-7H2,1-3H3,(H2,16,20)(H,17,23)(H,18,21)/t9-,10+,13+/m0/s1

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Potential Energy
Epot(MMFF94)=66.5125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.381 g/mol  logS: -2.11012  SlogP: -1.4392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042141  Sterimol/B1: 2.09426  Sterimol/B2: 4.38549  Sterimol/B3: 4.61235
  Sterimol/B4: 5.94205  Sterimol/L: 17.7198 
 
 Surface and Volume Properties
  Accessible surface: 600.291  Positive charged surface: 420.273  Negative charged surface: 180.018  Volume: 307.75
  Hydrophobic surface: 263.284  Hydrophilic surface: 337.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.