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PUBCHEM-ZINC04548298

 MMsINC code: MMs03132142
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)N2C(CCCC2C)C)C(=O)NC12CCCC2
InChI:   InChI=1/C16H25N3O3/c1-11-6-5-7-12(2)19(11)13(20)10-18-14(21)16(17-15(18)22)8-3-4-9-16/h11-12H,3-10H2,1-2H3,(H,17,22)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=52.1254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -2.46556  SlogP: 1.6405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919828  Sterimol/B1: 2.14835  Sterimol/B2: 2.47264  Sterimol/B3: 6.10764
  Sterimol/B4: 6.52447  Sterimol/L: 15.4982 
 
 Surface and Volume Properties
  Accessible surface: 539.672  Positive charged surface: 384.956  Negative charged surface: 154.716  Volume: 298.125
  Hydrophobic surface: 401.272  Hydrophilic surface: 138.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.