Drug Information

Drug ID:  NPD2248
Drug Name:  Propoxycaine
Molecular Formula:  C16H26N2O3
Canonical SMILES:  CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
Standard InCHI:  InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
Standard InCHIKey:  CAJIGINSTLKQMM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2248

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 0.8323 NPC319645
Intermediate Similarity 0.7937 NPC301702
Intermediate Similarity 0.7459 NPC288305
Intermediate Similarity 0.7326 NPC28510
Intermediate Similarity 0.7326 NPC1820
Intermediate Similarity 0.7318 NPC73280
Intermediate Similarity 0.7277 NPC234933
Intermediate Similarity 0.724 NPC241263
Intermediate Similarity 0.7234 NPC22476
Intermediate Similarity 0.7198 NPC9475
Intermediate Similarity 0.7191 NPC471652
Intermediate Similarity 0.7181 NPC474059
Intermediate Similarity 0.7151 NPC473007
Intermediate Similarity 0.7135 NPC299582
Intermediate Similarity 0.7092 NPC41216
Intermediate Similarity 0.7081 NPC122235
Intermediate Similarity 0.7077 NPC232600
Intermediate Similarity 0.7071 NPC198160
Intermediate Similarity 0.7056 NPC313112
Intermediate Similarity 0.7056 NPC301292
Intermediate Similarity 0.7048 NPC316574
Intermediate Similarity 0.7041 NPC15987
Intermediate Similarity 0.7032 NPC217423
Intermediate Similarity 0.7022 NPC199737
Intermediate Similarity 0.7016 NPC206109
Intermediate Similarity 0.7016 NPC114039
Intermediate Similarity 0.7011 NPC127082
Intermediate Similarity 0.7006 NPC230951
Intermediate Similarity 0.7 NPC473008
Remote Similarity 0.6994 NPC214239
Remote Similarity 0.6976 NPC77777
Remote Similarity 0.6964 NPC181526
Remote Similarity 0.6954 NPC288759
Remote Similarity 0.6937 NPC226794
Remote Similarity 0.6927 NPC169402
Remote Similarity 0.6915 NPC475133
Remote Similarity 0.6912 NPC116238
Remote Similarity 0.691 NPC133817
Remote Similarity 0.691 NPC476443
Remote Similarity 0.6907 NPC303214
Remote Similarity 0.6903 NPC188907
Remote Similarity 0.6901 NPC323798
Remote Similarity 0.6898 NPC28368
Remote Similarity 0.6897 NPC116178
Remote Similarity 0.6895 NPC469830
Remote Similarity 0.6885 NPC471648
Remote Similarity 0.6884 NPC87714
Remote Similarity 0.6866 NPC330683
Remote Similarity 0.6866 NPC329567
Remote Similarity 0.6863 NPC321166
Remote Similarity 0.6863 NPC217903
Remote Similarity 0.6863 NPC30749
Remote Similarity 0.6857 NPC314223
Remote Similarity 0.6837 NPC100863
Remote Similarity 0.6831 NPC471778
Remote Similarity 0.6826 NPC173295
Remote Similarity 0.6823 NPC45389
Remote Similarity 0.6814 NPC127996
Remote Similarity 0.6809 NPC327005
Remote Similarity 0.6804 NPC471825
Remote Similarity 0.68 NPC475147
Remote Similarity 0.6796 NPC204867
Remote Similarity 0.6794 NPC198503
Remote Similarity 0.6793 NPC474814
Remote Similarity 0.6793 NPC112336
Remote Similarity 0.6792 NPC150323
Remote Similarity 0.6788 NPC203628
Remote Similarity 0.6788 NPC314098
Remote Similarity 0.6784 NPC13696
Remote Similarity 0.6782 NPC315829
Remote Similarity 0.6778 NPC93653
Remote Similarity 0.6777 NPC115588
Remote Similarity 0.6776 NPC470971
Remote Similarity 0.6772 NPC314659
Remote Similarity 0.677 NPC311219
Remote Similarity 0.6769 NPC230313
Remote Similarity 0.6769 NPC243626
Remote Similarity 0.6766 NPC477161
Remote Similarity 0.6766 NPC266425
Remote Similarity 0.6755 NPC70092
Remote Similarity 0.6751 NPC14622
Remote Similarity 0.6751 NPC215098
Remote Similarity 0.6751 NPC73020
Remote Similarity 0.6751 NPC112937
Remote Similarity 0.6751 NPC46744
Remote Similarity 0.6751 NPC70290
Remote Similarity 0.6751 NPC124302
Remote Similarity 0.6748 NPC176113
Remote Similarity 0.6746 NPC476069
Remote Similarity 0.6746 NPC174760
Remote Similarity 0.6736 NPC166979
Remote Similarity 0.6733 NPC212123
Remote Similarity 0.6733 NPC478075
Remote Similarity 0.6732 NPC305542
Remote Similarity 0.6721 NPC314861
Remote Similarity 0.672 NPC197335
Remote Similarity 0.672 NPC309692
Remote Similarity 0.6716 NPC474366
Remote Similarity 0.6709 NPC45104
Remote Similarity 0.6702 NPC128683
Remote Similarity 0.67 NPC2173
Remote Similarity 0.67 NPC328700
Remote Similarity 0.67 NPC119818
Remote Similarity 0.67 NPC202771
Remote Similarity 0.6699 NPC268223
Remote Similarity 0.6687 NPC205946
Remote Similarity 0.6684 NPC8467
Remote Similarity 0.6683 NPC72788
Remote Similarity 0.6683 NPC120671
Remote Similarity 0.6683 NPC226652
Remote Similarity 0.6683 NPC314100
Remote Similarity 0.6683 NPC195636
Remote Similarity 0.6667 NPC87391
Remote Similarity 0.6667 NPC160747
Remote Similarity 0.6667 NPC264428
Remote Similarity 0.6667 NPC473004
Remote Similarity 0.6651 NPC154922
Remote Similarity 0.6651 NPC195120
Remote Similarity 0.6651 NPC87560
Remote Similarity 0.665 NPC308137
Remote Similarity 0.665 NPC310211
Remote Similarity 0.6649 NPC315631
Remote Similarity 0.6647 NPC281104
Remote Similarity 0.6646 NPC4164
Remote Similarity 0.6636 NPC13249
Remote Similarity 0.6635 NPC148183
Remote Similarity 0.6635 NPC329830
Remote Similarity 0.6635 NPC152768
Remote Similarity 0.6634 NPC268077
Remote Similarity 0.6634 NPC473422
Remote Similarity 0.663 NPC301163
Remote Similarity 0.6625 NPC90522
Remote Similarity 0.6625 NPC328459
Remote Similarity 0.662 NPC122886
Remote Similarity 0.6607 NPC470392
Remote Similarity 0.6602 NPC218303
Remote Similarity 0.6602 NPC146418
Remote Similarity 0.6601 NPC195787
Remote Similarity 0.6601 NPC246140
Remote Similarity 0.66 NPC67904
Remote Similarity 0.6599 NPC469815
Remote Similarity 0.6599 NPC469816
Remote Similarity 0.6588 NPC150239
Remote Similarity 0.6587 NPC238309
Remote Similarity 0.6587 NPC189661
Remote Similarity 0.6585 NPC470163
Remote Similarity 0.6585 NPC470162
Remote Similarity 0.6584 NPC317572
Remote Similarity 0.6584 NPC72977
Remote Similarity 0.6584 NPC473460
Remote Similarity 0.6584 NPC207971
Remote Similarity 0.6581 NPC226914
Remote Similarity 0.6579 NPC98416
Remote Similarity 0.6579 NPC298320
Remote Similarity 0.6577 NPC469722
Remote Similarity 0.6577 NPC113455
Remote Similarity 0.6571 NPC134702
Remote Similarity 0.657 NPC242933
Remote Similarity 0.657 NPC119722
Remote Similarity 0.6569 NPC4687
Remote Similarity 0.6567 NPC214368
Remote Similarity 0.6566 NPC108847
Remote Similarity 0.6566 NPC477258
Remote Similarity 0.6564 NPC469437
Remote Similarity 0.6562 NPC94637
Remote Similarity 0.6561 NPC53953
Remote Similarity 0.6557 NPC257763
Remote Similarity 0.6557 NPC7560
Remote Similarity 0.6555 NPC3207
Remote Similarity 0.6546 NPC21425
Remote Similarity 0.6545 NPC270301
Remote Similarity 0.6534 NPC17760
Remote Similarity 0.6528 NPC315542
Remote Similarity 0.6528 NPC235194
Remote Similarity 0.6526 NPC148124
Remote Similarity 0.6522 NPC220241
Remote Similarity 0.6522 NPC295479
Remote Similarity 0.6519 NPC471649
Remote Similarity 0.6516 NPC151171
Remote Similarity 0.651 NPC27887
Remote Similarity 0.651 NPC469831
Remote Similarity 0.6509 NPC118154
Remote Similarity 0.6509 NPC157983
Remote Similarity 0.6508 NPC472894
Remote Similarity 0.6507 NPC148391
Remote Similarity 0.6505 NPC477160
Remote Similarity 0.6497 NPC226708
Remote Similarity 0.6495 NPC262725
Remote Similarity 0.6493 NPC247803
Remote Similarity 0.6493 NPC46561
Remote Similarity 0.6493 NPC182853
Remote Similarity 0.6492 NPC85613
Remote Similarity 0.6492 NPC222524
Remote Similarity 0.6491 NPC196708
Remote Similarity 0.649 NPC477827
Remote Similarity 0.649 NPC477826
Remote Similarity 0.6489 NPC120239
Remote Similarity 0.6482 NPC125924
Remote Similarity 0.648 NPC5630
Remote Similarity 0.648 NPC174629

Drug Structure

External Identifiers

TTD   DIB007171
DrugBank   DB09342
ChEMBL   CHEMBL1195
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   8496
CAS Number  86-43-1

Drug Properties

Molecular Weight  294.19
ALogP  -0.4784
MLogP  2.67
XLogP  2.914
HDA  4
HBD  1
Rotatable Bonds  14
TPSA  64.79
RO5 Violation  0