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ENAMINE-ZINC03563808

 MMsINC code: MMs01510315
Type: Neutral
Formula: C16H27N3O3
SMILES:   O=C1N(CC(=O)NC(CC)CC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C16H27N3O3/c1-4-12(5-2)17-13(20)10-19-14(21)16(18-15(19)22)9-7-6-8-11(16)3/h11-12H,4-10H2,1-3H3,(H,17,20)(H,18,22)/t11-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=24.0522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.41 g/mol  logS: -2.93793  SlogP: 1.7919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104018  Sterimol/B1: 2.33404  Sterimol/B2: 3.46482  Sterimol/B3: 4.72336
  Sterimol/B4: 6.40592  Sterimol/L: 15.2936 
 
 Surface and Volume Properties
  Accessible surface: 554.487  Positive charged surface: 395.908  Negative charged surface: 158.579  Volume: 310.5
  Hydrophobic surface: 400.815  Hydrophilic surface: 153.672
 
 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.