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NCID-ZINC01657943

 MMsINC code: MMs02296013
Type: Neutral
Formula: C15H29N3O3
SMILES:   O(C(C)(C)C)C(=O)N(CC(=O)N1CCN(CC1)CCC)C
InChI:   InChI=1/C15H29N3O3/c1-6-7-17-8-10-18(11-9-17)13(19)12-16(5)14(20)21-15(2,3)4/h6-12H2,1-5H3

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Potential Energy
Epot(MMFF94)=64.2832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.415 g/mol  logS: -1.35786  SlogP: 1.4075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773731  Sterimol/B1: 2.65249  Sterimol/B2: 2.93636  Sterimol/B3: 4.67389
  Sterimol/B4: 6.49589  Sterimol/L: 17.6524 
 
 Surface and Volume Properties
  Accessible surface: 594.885  Positive charged surface: 486.003  Negative charged surface: 108.882  Volume: 312.375
  Hydrophobic surface: 477.646  Hydrophilic surface: 117.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02296014
NCID-ZINC01657943