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PUBCHEM-ZINC00632255

 MMsINC code: MMs02716313
Type: Neutral
Formula: C24H23N3
SMILES:   n1c2c(cccc2)c(N2CCN(CC2)C)cc1-c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H23N3/c1-26-12-14-27(15-13-26)24-17-23(25-22-9-5-4-8-21(22)24)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16-17H,12-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=167.652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.469 g/mol  logS: -6.22062  SlogP: 4.8068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0375841  Sterimol/B1: 2.16536  Sterimol/B2: 3.55662  Sterimol/B3: 3.64868
  Sterimol/B4: 10.3443  Sterimol/L: 17.434 
 
 Surface and Volume Properties
  Accessible surface: 632.19  Positive charged surface: 414.391  Negative charged surface: 195.612  Volume: 361.75
  Hydrophobic surface: 599.328  Hydrophilic surface: 32.862
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02716314
PUBCHEM-ZINC00632255