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CHEMDIV-ZINC02494359

 MMsINC code: MMs00881593
Type: Neutral
Formula: C15H27N3O3
SMILES:   O=C(NC1CCCCC1)C(NC(=O)CNC(=O)C)(CC)C
InChI:   InChI=1/C15H27N3O3/c1-4-15(3,18-13(20)10-16-11(2)19)14(21)17-12-8-6-5-7-9-12/h12H,4-10H2,1-3H3,(H,16,19)(H,17,21)(H,18,20)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=55.6549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.399 g/mol  logS: -2.44294  SlogP: 0.8563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105268  Sterimol/B1: 2.37735  Sterimol/B2: 3.20246  Sterimol/B3: 6.1081
  Sterimol/B4: 6.41072  Sterimol/L: 16.8376 
 
 Surface and Volume Properties
  Accessible surface: 564.566  Positive charged surface: 398.936  Negative charged surface: 165.63  Volume: 301
  Hydrophobic surface: 425.35  Hydrophilic surface: 139.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.