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CHEMSTAR-ZINC03157788

 MMsINC code: MMs01084764
Type: Neutral
Formula: C13H21N3O3
SMILES:   O=C1N(CCCCC1)CC(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C13H21N3O3/c14-13(19)10-5-4-8-16(10)12(18)9-15-7-3-1-2-6-11(15)17/h10H,1-9H2,(H2,14,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=60.2236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.329 g/mol  logS: -1.19071  SlogP: -0.1347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763673  Sterimol/B1: 2.75273  Sterimol/B2: 3.6526  Sterimol/B3: 4.00842
  Sterimol/B4: 5.06601  Sterimol/L: 13.8297 
 
 Surface and Volume Properties
  Accessible surface: 487.919  Positive charged surface: 365.773  Negative charged surface: 122.146  Volume: 257.75
  Hydrophobic surface: 348.366  Hydrophilic surface: 139.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.