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CHEMDIV-ZINC06737892

 MMsINC code: MMs01006160
Type: Neutral
Formula: C23H25N3O2
SMILES:   o1nc2c3c(C(=O)c4c(-c13)cccc4)c(N1CCCCC1)cc2NCC(C)C
InChI:   InChI=1/C23H25N3O2/c1-14(2)13-24-17-12-18(26-10-6-3-7-11-26)19-20-21(17)25-28-23(20)16-9-5-4-8-15(16)22(19)27/h4-5,8-9,12,14,24H,3,6-7,10-11,13H2,1-2H3

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Potential Energy
Epot(MMFF94)=182.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.472 g/mol  logS: -5.90917  SlogP: 5.0974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601542  Sterimol/B1: 3.13319  Sterimol/B2: 4.16357  Sterimol/B3: 4.76295
  Sterimol/B4: 8.06279  Sterimol/L: 17.2421 
 
 Surface and Volume Properties
  Accessible surface: 628.538  Positive charged surface: 431.071  Negative charged surface: 192.736  Volume: 366.625
  Hydrophobic surface: 510.642  Hydrophilic surface: 117.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.