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ASINEX-ZINC01379340

 MMsINC code: MMs00251991
Type: Neutral
Formula: C16H29N3O2
SMILES:   O=C(NCC(C)C)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C16H29N3O2/c1-12(2)11-17-15(20)14-9-6-10-19(14)16(21)18-13-7-4-3-5-8-13/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=17.7649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.427 g/mol  logS: -2.42518  SlogP: 2.2653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563065  Sterimol/B1: 2.36684  Sterimol/B2: 3.5388  Sterimol/B3: 3.97067
  Sterimol/B4: 8.46108  Sterimol/L: 17.0425 
 
 Surface and Volume Properties
  Accessible surface: 584.198  Positive charged surface: 458.798  Negative charged surface: 125.4  Volume: 311
  Hydrophobic surface: 488.556  Hydrophilic surface: 95.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.