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NANOSIN-ZINC04256877

 MMsINC code: MMs02205009
Type: Neutral
Formula: C15H26N2O
SMILES:   O=C(NC(C)C12CC3CC(C1)CC(C2)C3)NCC
InChI:   InChI=1/C15H26N2O/c1-3-16-14(18)17-10(2)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,13-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=17.7281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.386 g/mol  logS: -3.97647  SlogP: 2.9104  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.121168  Sterimol/B1: 3.02992  Sterimol/B2: 3.72778  Sterimol/B3: 4.1399
  Sterimol/B4: 5.61574  Sterimol/L: 14.609 
 
 Surface and Volume Properties
  Accessible surface: 483.583  Positive charged surface: 381.032  Negative charged surface: 102.551  Volume: 261.625
  Hydrophobic surface: 392.429  Hydrophilic surface: 91.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.