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CHEMBLOCK-ZINC02491687

 MMsINC code: MMs00532162
Type: Neutral
Formula: C15H29N3O2
SMILES:   O=C(NC1CC(NC(C1)(C)C)(C)C)C(=O)NCC(C)C
InChI:   InChI=1/C15H29N3O2/c1-10(2)9-16-12(19)13(20)17-11-7-14(3,4)18-15(5,6)8-11/h10-11,18H,7-9H2,1-6H3,(H,16,19)(H,17,20)

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Potential Energy
Epot(MMFF94)=44.0738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.416 g/mol  logS: -2.29459  SlogP: 1.184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770878  Sterimol/B1: 2.07616  Sterimol/B2: 4.34876  Sterimol/B3: 4.95641
  Sterimol/B4: 5.11194  Sterimol/L: 16.785 
 
 Surface and Volume Properties
  Accessible surface: 567.02  Positive charged surface: 405.733  Negative charged surface: 161.287  Volume: 302.5
  Hydrophobic surface: 361.134  Hydrophilic surface: 205.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00532163
CHEMBLOCK-ZINC02491687