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NCID-ZINC01653315

 MMsINC code: MMs02292354
Type: Neutral
Formula: C13H26N2O2
SMILES:   O=C(NC(CC(C)C)C=O)C(NC)CC(C)C
InChI:   InChI=1/C13H26N2O2/c1-9(2)6-11(8-16)15-13(17)12(14-5)7-10(3)4/h8-12,14H,6-7H2,1-5H3,(H,15,17)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=52.1881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -2.68144  SlogP: 1.3503  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.134146  Sterimol/B1: 2.03422  Sterimol/B2: 3.70524  Sterimol/B3: 4.8444
  Sterimol/B4: 6.14073  Sterimol/L: 12.4599 
 
 Surface and Volume Properties
  Accessible surface: 509.463  Positive charged surface: 380.974  Negative charged surface: 128.489  Volume: 267.375
  Hydrophobic surface: 341.492  Hydrophilic surface: 167.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.