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ENAMINE-ZINC04515978

 MMsINC code: MMs01545076
Type: Neutral
Formula: C15H23N3O3
SMILES:   O=C1N(CC(=O)N2CCCC2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C15H23N3O3/c1-11-6-2-3-7-15(11)13(20)18(14(21)16-15)10-12(19)17-8-4-5-9-17/h11H,2-10H2,1H3,(H,16,21)/t11-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=24.4391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.367 g/mol  logS: -2.32636  SlogP: 1.1095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632535  Sterimol/B1: 2.20053  Sterimol/B2: 3.48645  Sterimol/B3: 4.48449
  Sterimol/B4: 6.66757  Sterimol/L: 15.4724 
 
 Surface and Volume Properties
  Accessible surface: 516.968  Positive charged surface: 374.981  Negative charged surface: 141.988  Volume: 283.25
  Hydrophobic surface: 396.302  Hydrophilic surface: 120.666
 
 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.