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NCID-ZINC01662829

 MMsINC code: MMs02299505
Type: Neutral
Formula: C24H32N4O2
SMILES:   O(C)c1ccccc1N1CCN(CC1)CCN1CC2CC(C1)CN1C2=CC=CC1=O
InChI:   InChI=1/C24H32N4O2/c1-30-23-7-3-2-5-22(23)27-13-11-25(12-14-27)9-10-26-16-19-15-20(18-26)21-6-4-8-24(29)28(21)17-19/h2-8,19-20H,9-18H2,1H3/t19-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=181.77 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.546 g/mol  logS: -2.93216  SlogP: 2.0512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923346  Sterimol/B1: 2.24711  Sterimol/B2: 3.86087  Sterimol/B3: 6.09954
  Sterimol/B4: 6.73536  Sterimol/L: 18.3718 
 
 Surface and Volume Properties
  Accessible surface: 696.332  Positive charged surface: 544.386  Negative charged surface: 151.946  Volume: 409.25
  Hydrophobic surface: 642.178  Hydrophilic surface: 54.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02299506
NCID-ZINC01662829