Drug Information

Drug ID:  NPD7130
Drug Name:  Oxethazaine
Molecular Formula:  C28H41N3O3
Canonical SMILES:  OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C
Standard InCHI:  InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
Standard InCHIKey:  FTLDJPRFCGDUFH-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7130

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 0.8224 NPC473418
Intermediate Similarity 0.807 NPC470544
Intermediate Similarity 0.8 NPC470545
Intermediate Similarity 0.7931 NPC470546
Intermediate Similarity 0.7881 NPC71684
Intermediate Similarity 0.7797 NPC476990
Intermediate Similarity 0.7797 NPC302169
Intermediate Similarity 0.7778 NPC220698
Intermediate Similarity 0.7731 NPC202521
Intermediate Similarity 0.7667 NPC252878
Intermediate Similarity 0.7603 NPC6975
Intermediate Similarity 0.7603 NPC46427
Intermediate Similarity 0.75 NPC319766
Intermediate Similarity 0.75 NPC45033
Intermediate Similarity 0.7458 NPC239357
Intermediate Similarity 0.744 NPC473322
Intermediate Similarity 0.7436 NPC33742
Intermediate Similarity 0.7398 NPC222466
Intermediate Similarity 0.7355 NPC200964
Intermediate Similarity 0.735 NPC35850
Intermediate Similarity 0.735 NPC276949
Intermediate Similarity 0.7339 NPC101719
Intermediate Similarity 0.7323 NPC130309
Intermediate Similarity 0.7317 NPC474082
Intermediate Similarity 0.7317 NPC175726
Intermediate Similarity 0.7311 NPC315276
Intermediate Similarity 0.7311 NPC14672
Intermediate Similarity 0.7311 NPC285926
Intermediate Similarity 0.7302 NPC111428
Intermediate Similarity 0.7297 NPC329375
Intermediate Similarity 0.728 NPC136453
Intermediate Similarity 0.7258 NPC22746
Intermediate Similarity 0.7244 NPC200589
Intermediate Similarity 0.7222 NPC105114
Intermediate Similarity 0.7222 NPC89923
Intermediate Similarity 0.7222 NPC152850
Intermediate Similarity 0.7222 NPC239990
Intermediate Similarity 0.7222 NPC71933
Intermediate Similarity 0.7218 NPC161069
Intermediate Similarity 0.7212 NPC17497
Intermediate Similarity 0.7212 NPC305602
Intermediate Similarity 0.7196 NPC473661
Intermediate Similarity 0.7193 NPC471447
Intermediate Similarity 0.7188 NPC255447
Intermediate Similarity 0.7176 NPC127741
Intermediate Similarity 0.7165 NPC469666
Intermediate Similarity 0.7154 NPC141050
Intermediate Similarity 0.713 NPC474974
Intermediate Similarity 0.7091 NPC472258
Intermediate Similarity 0.7077 NPC287401
Intermediate Similarity 0.7073 NPC27833
Intermediate Similarity 0.7068 NPC239762
Intermediate Similarity 0.7068 NPC163392
Intermediate Similarity 0.7054 NPC157311
Intermediate Similarity 0.7027 NPC322598
Intermediate Similarity 0.7009 NPC65855
Intermediate Similarity 0.7009 NPC292758
Intermediate Similarity 0.7007 NPC138775
Intermediate Similarity 0.7 NPC8761
Intermediate Similarity 0.7 NPC44805
Remote Similarity 0.6992 NPC132636
Remote Similarity 0.699 NPC474088
Remote Similarity 0.6985 NPC209509
Remote Similarity 0.6961 NPC231986
Remote Similarity 0.694 NPC476259
Remote Similarity 0.6934 NPC262077
Remote Similarity 0.6917 NPC68865
Remote Similarity 0.6909 NPC256452
Remote Similarity 0.6903 NPC228400
Remote Similarity 0.6903 NPC214200
Remote Similarity 0.6894 NPC248283
Remote Similarity 0.6889 NPC263493
Remote Similarity 0.6889 NPC269398
Remote Similarity 0.688 NPC314192
Remote Similarity 0.6879 NPC122590
Remote Similarity 0.687 NPC325479
Remote Similarity 0.687 NPC257390
Remote Similarity 0.687 NPC246079
Remote Similarity 0.6866 NPC178662
Remote Similarity 0.6866 NPC98424
Remote Similarity 0.6866 NPC470884
Remote Similarity 0.6866 NPC476133
Remote Similarity 0.6866 NPC92784
Remote Similarity 0.686 NPC246904
Remote Similarity 0.6846 NPC300315
Remote Similarity 0.6842 NPC474787
Remote Similarity 0.6842 NPC90194
Remote Similarity 0.6842 NPC475318
Remote Similarity 0.6842 NPC49577
Remote Similarity 0.6842 NPC474855
Remote Similarity 0.6842 NPC293377
Remote Similarity 0.6842 NPC76785
Remote Similarity 0.6842 NPC118099
Remote Similarity 0.6842 NPC476102
Remote Similarity 0.6842 NPC260045
Remote Similarity 0.6842 NPC474811
Remote Similarity 0.6842 NPC475598
Remote Similarity 0.6842 NPC79465
Remote Similarity 0.6842 NPC151706
Remote Similarity 0.6842 NPC9687
Remote Similarity 0.6842 NPC273907
Remote Similarity 0.6838 NPC139326
Remote Similarity 0.6818 NPC71140
Remote Similarity 0.6815 NPC268841
Remote Similarity 0.6815 NPC307357
Remote Similarity 0.6815 NPC46098
Remote Similarity 0.681 NPC143516
Remote Similarity 0.681 NPC167336
Remote Similarity 0.6803 NPC473573
Remote Similarity 0.6792 NPC203076
Remote Similarity 0.6791 NPC471264
Remote Similarity 0.6791 NPC471265
Remote Similarity 0.6789 NPC470926
Remote Similarity 0.6788 NPC476978
Remote Similarity 0.6788 NPC52748
Remote Similarity 0.6786 NPC311242
Remote Similarity 0.6765 NPC476989
Remote Similarity 0.6765 NPC469427
Remote Similarity 0.6765 NPC168113
Remote Similarity 0.6765 NPC469426
Remote Similarity 0.6763 NPC135121
Remote Similarity 0.6752 NPC130898
Remote Similarity 0.6752 NPC474973
Remote Similarity 0.6752 NPC474804
Remote Similarity 0.6739 NPC477217
Remote Similarity 0.6739 NPC201244
Remote Similarity 0.6739 NPC315266
Remote Similarity 0.6739 NPC5620
Remote Similarity 0.6738 NPC473491
Remote Similarity 0.6724 NPC224610
Remote Similarity 0.6724 NPC194390
Remote Similarity 0.6724 NPC113326
Remote Similarity 0.6724 NPC88267
Remote Similarity 0.6715 NPC197682
Remote Similarity 0.6715 NPC176226
Remote Similarity 0.6714 NPC105717
Remote Similarity 0.6696 NPC25565
Remote Similarity 0.6691 NPC314358
Remote Similarity 0.6667 NPC2501
Remote Similarity 0.6667 NPC67043
Remote Similarity 0.6667 NPC477061
Remote Similarity 0.6667 NPC211551
Remote Similarity 0.6667 NPC316582
Remote Similarity 0.6667 NPC477248
Remote Similarity 0.6667 NPC45777
Remote Similarity 0.6667 NPC315283
Remote Similarity 0.6667 NPC314388
Remote Similarity 0.6667 NPC477249
Remote Similarity 0.6639 NPC473676
Remote Similarity 0.6637 NPC475439
Remote Similarity 0.6637 NPC473501
Remote Similarity 0.6636 NPC245259
Remote Similarity 0.6619 NPC313867
Remote Similarity 0.6619 NPC471680
Remote Similarity 0.6619 NPC316008
Remote Similarity 0.6618 NPC89489
Remote Similarity 0.661 NPC473498
Remote Similarity 0.6609 NPC469457
Remote Similarity 0.6607 NPC161972
Remote Similarity 0.6607 NPC58674
Remote Similarity 0.6607 NPC303045
Remote Similarity 0.6596 NPC471820
Remote Similarity 0.6596 NPC471821
Remote Similarity 0.6594 NPC77905
Remote Similarity 0.6589 NPC307020
Remote Similarity 0.6581 NPC275467
Remote Similarity 0.6549 NPC129666
Remote Similarity 0.6545 NPC172128
Remote Similarity 0.6532 NPC101139
Remote Similarity 0.6529 NPC319579
Remote Similarity 0.6528 NPC473341
Remote Similarity 0.6528 NPC286551
Remote Similarity 0.6525 NPC476198
Remote Similarity 0.6525 NPC329761
Remote Similarity 0.6525 NPC16188
Remote Similarity 0.6525 NPC225648
Remote Similarity 0.6509 NPC119677
Remote Similarity 0.6508 NPC228515
Remote Similarity 0.65 NPC266741
Remote Similarity 0.6496 NPC77992
Remote Similarity 0.6489 NPC477937
Remote Similarity 0.6486 NPC226438
Remote Similarity 0.6486 NPC471527
Remote Similarity 0.6479 NPC240848
Remote Similarity 0.6479 NPC9373
Remote Similarity 0.6475 NPC475013
Remote Similarity 0.6475 NPC470301
Remote Similarity 0.6475 NPC269340
Remote Similarity 0.6471 NPC271642
Remote Similarity 0.6466 NPC316797
Remote Similarity 0.6463 NPC324850
Remote Similarity 0.6462 NPC285394
Remote Similarity 0.6458 NPC233702
Remote Similarity 0.6454 NPC81026
Remote Similarity 0.6449 NPC169016
Remote Similarity 0.6441 NPC226778
Remote Similarity 0.6441 NPC147000
Remote Similarity 0.6441 NPC304761
Remote Similarity 0.6441 NPC150254
Remote Similarity 0.6439 NPC218323

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  467.31
ALogP  -0.0619
MLogP  3.88
XLogP  7.112
HDA  6
HBD  1
Rotatable Bonds  21
TPSA  64.09
RO5 Violation  2