Drug Information

Drug ID:  NPD1375
Drug Name:  Daxalipram
Molecular Formula:  C14H19NO4
Canonical SMILES:  CCCOc1cc(ccc1OC)[C@]1(C)CN=C(O1)O
Standard InCHI:  InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1
Standard InCHIKey:  PCCPERGCFKIYIS-AWEZNQCLSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1375

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.8299 NPC115144
Intermediate Similarity 0.8299 NPC277857
Intermediate Similarity 0.8298 NPC264956
Intermediate Similarity 0.8125 NPC299583
Intermediate Similarity 0.8069 NPC77572
Intermediate Similarity 0.8067 NPC182119
Intermediate Similarity 0.8056 NPC254610
Intermediate Similarity 0.8 NPC246974
Intermediate Similarity 0.8 NPC147247
Intermediate Similarity 0.7986 NPC301713
Intermediate Similarity 0.7972 NPC282477
Intermediate Similarity 0.7972 NPC284855
Intermediate Similarity 0.7961 NPC474560
Intermediate Similarity 0.7931 NPC160607
Intermediate Similarity 0.7931 NPC312770
Intermediate Similarity 0.7931 NPC14600
Intermediate Similarity 0.7931 NPC41473
Intermediate Similarity 0.7931 NPC204848
Intermediate Similarity 0.7929 NPC191302
Intermediate Similarity 0.7929 NPC99798
Intermediate Similarity 0.7929 NPC157740
Intermediate Similarity 0.7929 NPC153990
Intermediate Similarity 0.7887 NPC326599
Intermediate Similarity 0.7887 NPC329595
Intermediate Similarity 0.7881 NPC470935
Intermediate Similarity 0.7881 NPC471032
Intermediate Similarity 0.7857 NPC251466
Intermediate Similarity 0.7857 NPC156944
Intermediate Similarity 0.7848 NPC218614
Intermediate Similarity 0.7842 NPC300955
Intermediate Similarity 0.7832 NPC214869
Intermediate Similarity 0.7817 NPC270849
Intermediate Similarity 0.7817 NPC26653
Intermediate Similarity 0.781 NPC267064
Intermediate Similarity 0.7801 NPC41331
Intermediate Similarity 0.7801 NPC291449
Intermediate Similarity 0.7786 NPC170583
Intermediate Similarity 0.7786 NPC182147
Intermediate Similarity 0.7786 NPC246133
Intermediate Similarity 0.7786 NPC207541
Intermediate Similarity 0.7786 NPC71105
Intermediate Similarity 0.7786 NPC152186
Intermediate Similarity 0.7778 NPC120075
Intermediate Similarity 0.7762 NPC80600
Intermediate Similarity 0.7762 NPC472024
Intermediate Similarity 0.7762 NPC114102
Intermediate Similarity 0.7755 NPC36434
Intermediate Similarity 0.7754 NPC216929
Intermediate Similarity 0.7754 NPC126935
Intermediate Similarity 0.7754 NPC172676
Intermediate Similarity 0.7754 NPC312713
Intermediate Similarity 0.7754 NPC65933
Intermediate Similarity 0.7754 NPC57268
Intermediate Similarity 0.7746 NPC226862
Intermediate Similarity 0.7746 NPC469977
Intermediate Similarity 0.7746 NPC158471
Intermediate Similarity 0.7746 NPC57119
Intermediate Similarity 0.7746 NPC165128
Intermediate Similarity 0.774 NPC174191
Intermediate Similarity 0.773 NPC206882
Intermediate Similarity 0.7724 NPC218530
Intermediate Similarity 0.7724 NPC25821
Intermediate Similarity 0.7716 NPC474953
Intermediate Similarity 0.7714 NPC94276
Intermediate Similarity 0.7714 NPC109822
Intermediate Similarity 0.7714 NPC105513
Intermediate Similarity 0.7708 NPC130595
Intermediate Similarity 0.7708 NPC93882
Intermediate Similarity 0.7703 NPC298821
Intermediate Similarity 0.7702 NPC252960
Intermediate Similarity 0.7698 NPC298486
Intermediate Similarity 0.7698 NPC71090
Intermediate Similarity 0.7692 NPC470706
Intermediate Similarity 0.7692 NPC195749
Intermediate Similarity 0.7692 NPC166040
Intermediate Similarity 0.7692 NPC52029
Intermediate Similarity 0.7692 NPC35961
Intermediate Similarity 0.7683 NPC49353
Intermediate Similarity 0.7682 NPC313414
Intermediate Similarity 0.7676 NPC98745
Intermediate Similarity 0.7671 NPC90083
Intermediate Similarity 0.7671 NPC170779
Intermediate Similarity 0.7667 NPC63628
Intermediate Similarity 0.7667 NPC178466
Intermediate Similarity 0.7664 NPC135961
Intermediate Similarity 0.7658 NPC59028
Intermediate Similarity 0.7658 NPC92191
Intermediate Similarity 0.7658 NPC69360
Intermediate Similarity 0.7655 NPC230219
Intermediate Similarity 0.7655 NPC104077
Intermediate Similarity 0.7655 NPC147616
Intermediate Similarity 0.7655 NPC313737
Intermediate Similarity 0.7655 NPC285078
Intermediate Similarity 0.7655 NPC219671
Intermediate Similarity 0.7655 NPC6854
Intermediate Similarity 0.7655 NPC471505
Intermediate Similarity 0.7655 NPC259742
Intermediate Similarity 0.7651 NPC123761
Intermediate Similarity 0.7643 NPC13020
Intermediate Similarity 0.7643 NPC140359
Intermediate Similarity 0.7643 NPC279379
Intermediate Similarity 0.7643 NPC211218
Intermediate Similarity 0.7639 NPC233224
Intermediate Similarity 0.7639 NPC271208
Intermediate Similarity 0.7635 NPC296898
Intermediate Similarity 0.7632 NPC473934
Intermediate Similarity 0.7626 NPC470804
Intermediate Similarity 0.7622 NPC129570
Intermediate Similarity 0.7622 NPC21867
Intermediate Similarity 0.7622 NPC184733
Intermediate Similarity 0.7622 NPC155838
Intermediate Similarity 0.7622 NPC282703
Intermediate Similarity 0.7622 NPC11258
Intermediate Similarity 0.7622 NPC128208
Intermediate Similarity 0.7622 NPC470084
Intermediate Similarity 0.7622 NPC45774
Intermediate Similarity 0.7622 NPC302378
Intermediate Similarity 0.7619 NPC135777
Intermediate Similarity 0.7619 NPC142547
Intermediate Similarity 0.7616 NPC46092
Intermediate Similarity 0.761 NPC4304
Intermediate Similarity 0.7606 NPC178284
Intermediate Similarity 0.7606 NPC191037
Intermediate Similarity 0.7606 NPC58607
Intermediate Similarity 0.7603 NPC473463
Intermediate Similarity 0.7603 NPC196937
Intermediate Similarity 0.7603 NPC26394
Intermediate Similarity 0.7597 NPC211296
Intermediate Similarity 0.7594 NPC55300
Intermediate Similarity 0.7589 NPC121783
Intermediate Similarity 0.7589 NPC34902
Intermediate Similarity 0.7589 NPC18449
Intermediate Similarity 0.7586 NPC277804
Intermediate Similarity 0.7586 NPC82111
Intermediate Similarity 0.7586 NPC9912
Intermediate Similarity 0.7586 NPC227160
Intermediate Similarity 0.7569 NPC262641
Intermediate Similarity 0.7569 NPC248355
Intermediate Similarity 0.7568 NPC172818
Intermediate Similarity 0.7568 NPC25695
Intermediate Similarity 0.7566 NPC283995
Intermediate Similarity 0.7566 NPC129417
Intermediate Similarity 0.7566 NPC470235
Intermediate Similarity 0.7564 NPC275027
Intermediate Similarity 0.7557 NPC258171
Intermediate Similarity 0.7554 NPC199023
Intermediate Similarity 0.7554 NPC183262
Intermediate Similarity 0.7552 NPC292056
Intermediate Similarity 0.7552 NPC118787
Intermediate Similarity 0.7552 NPC251571
Intermediate Similarity 0.7552 NPC183181
Intermediate Similarity 0.7552 NPC111247
Intermediate Similarity 0.7552 NPC291847
Intermediate Similarity 0.7552 NPC147821
Intermediate Similarity 0.7552 NPC163332
Intermediate Similarity 0.7552 NPC5428
Intermediate Similarity 0.7552 NPC41706
Intermediate Similarity 0.7552 NPC319625
Intermediate Similarity 0.7551 NPC193026
Intermediate Similarity 0.7551 NPC47181
Intermediate Similarity 0.7551 NPC476411
Intermediate Similarity 0.7551 NPC187616
Intermediate Similarity 0.7551 NPC16485
Intermediate Similarity 0.7551 NPC49603
Intermediate Similarity 0.7551 NPC470881
Intermediate Similarity 0.7551 NPC187194
Intermediate Similarity 0.755 NPC302506
Intermediate Similarity 0.755 NPC476356
Intermediate Similarity 0.755 NPC246947
Intermediate Similarity 0.7537 NPC165646
Intermediate Similarity 0.7536 NPC181969
Intermediate Similarity 0.7536 NPC320987
Intermediate Similarity 0.7535 NPC194519
Intermediate Similarity 0.7534 NPC181049
Intermediate Similarity 0.7534 NPC4940
Intermediate Similarity 0.7534 NPC2190
Intermediate Similarity 0.7534 NPC7744
Intermediate Similarity 0.7534 NPC106739
Intermediate Similarity 0.7534 NPC207400
Intermediate Similarity 0.7534 NPC97316
Intermediate Similarity 0.7534 NPC18842
Intermediate Similarity 0.7533 NPC275150
Intermediate Similarity 0.7533 NPC226547
Intermediate Similarity 0.7531 NPC198741
Intermediate Similarity 0.7531 NPC90984
Intermediate Similarity 0.7519 NPC137685
Intermediate Similarity 0.7517 NPC185908
Intermediate Similarity 0.7517 NPC174495
Intermediate Similarity 0.7517 NPC145305
Intermediate Similarity 0.7517 NPC153739
Intermediate Similarity 0.7517 NPC77040
Intermediate Similarity 0.7517 NPC92164
Intermediate Similarity 0.7517 NPC308885
Intermediate Similarity 0.7517 NPC257582
Intermediate Similarity 0.7517 NPC241522
Intermediate Similarity 0.7517 NPC187998
Intermediate Similarity 0.7517 NPC304152
Intermediate Similarity 0.7517 NPC275950
Intermediate Similarity 0.7517 NPC255550
Intermediate Similarity 0.7517 NPC101807

Drug Structure

External Identifiers

TTD   DIB004728
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  265.13
ALogP  -0.0198
MLogP  2.45
XLogP  2.711
HDA  3
HBD  1
Rotatable Bonds  9
TPSA  60.28
RO5 Violation  0