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NCID-ZINC05848526

 MMsINC code: MMs02507259
Type: Neutral
Formula: C14H25N3O3
SMILES:   OC(=O)C1C(C=CN(CCN(CC)CC)C1C(=O)N)C
InChI:   InChI=1/C14H25N3O3/c1-4-16(5-2)8-9-17-7-6-10(3)11(14(19)20)12(17)13(15)18/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,15,18)(H,19,20)/t10-,11+,12-/m1/s1

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Potential Energy
Epot(MMFF94)=60.9725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -0.89017  SlogP: 0.3483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11314  Sterimol/B1: 2.04975  Sterimol/B2: 3.80706  Sterimol/B3: 4.21735
  Sterimol/B4: 6.5217  Sterimol/L: 13.9117 
 
 Surface and Volume Properties
  Accessible surface: 524.726  Positive charged surface: 384.922  Negative charged surface: 139.804  Volume: 283.25
  Hydrophobic surface: 304.618  Hydrophilic surface: 220.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.