Drug Information

Drug ID:  NPD9595
Drug Name:  Pyridostigmine Bromide
Molecular Formula:  C9H13N2O2.BrH
Canonical SMILES:  C[n+]1cccc(c1)OC(=O)N(C)C.[Br-]
Standard InCHI:  InChI=1S/C9H13N2O2.BrH/c1-10(2)9(12)13-8-5-4-6-11(3)7-8;/h4-7H,1-3H3;1H/q+1;/p-1
Standard InCHIKey:  VNYBTNPBYXSMOO-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9595

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 0.8027 NPC174421
Intermediate Similarity 0.7727 NPC318935
Intermediate Similarity 0.763 NPC20249
Intermediate Similarity 0.75 NPC476518
Intermediate Similarity 0.7484 NPC220523
Intermediate Similarity 0.7457 NPC266551
Intermediate Similarity 0.7457 NPC161887
Intermediate Similarity 0.7457 NPC219963
Intermediate Similarity 0.7456 NPC14651
Intermediate Similarity 0.7456 NPC121658
Intermediate Similarity 0.7383 NPC151489
Intermediate Similarity 0.7355 NPC328029
Intermediate Similarity 0.7333 NPC226202
Intermediate Similarity 0.731 NPC111624
Intermediate Similarity 0.7213 NPC267928
Intermediate Similarity 0.7196 NPC287208
Intermediate Similarity 0.7134 NPC29702
Intermediate Similarity 0.7052 NPC253810
Intermediate Similarity 0.7037 NPC471323
Intermediate Similarity 0.7005 NPC19872
Intermediate Similarity 0.7 NPC177404
Remote Similarity 0.6961 NPC206251
Remote Similarity 0.6961 NPC74382
Remote Similarity 0.6959 NPC263439
Remote Similarity 0.6959 NPC118511
Remote Similarity 0.6957 NPC84853
Remote Similarity 0.6948 NPC212125
Remote Similarity 0.6941 NPC25899
Remote Similarity 0.6936 NPC1527
Remote Similarity 0.6923 NPC476287
Remote Similarity 0.6895 NPC475774
Remote Similarity 0.6871 NPC470394
Remote Similarity 0.6871 NPC470404
Remote Similarity 0.6871 NPC470403
Remote Similarity 0.6862 NPC187558
Remote Similarity 0.6845 NPC107287
Remote Similarity 0.6831 NPC224327
Remote Similarity 0.6824 NPC138018
Remote Similarity 0.6824 NPC116573
Remote Similarity 0.6807 NPC112741
Remote Similarity 0.6807 NPC257142
Remote Similarity 0.6806 NPC245816
Remote Similarity 0.6806 NPC476138
Remote Similarity 0.6805 NPC63562
Remote Similarity 0.6802 NPC48192
Remote Similarity 0.6793 NPC134079
Remote Similarity 0.6788 NPC316403
Remote Similarity 0.6788 NPC470395
Remote Similarity 0.6784 NPC197141
Remote Similarity 0.677 NPC114310
Remote Similarity 0.6744 NPC322976
Remote Similarity 0.6744 NPC324203
Remote Similarity 0.6744 NPC63338
Remote Similarity 0.6737 NPC477019
Remote Similarity 0.6731 NPC306397
Remote Similarity 0.6727 NPC230085
Remote Similarity 0.6727 NPC159630
Remote Similarity 0.6725 NPC269919
Remote Similarity 0.6725 NPC132680
Remote Similarity 0.6724 NPC471178
Remote Similarity 0.672 NPC195268
Remote Similarity 0.672 NPC127085
Remote Similarity 0.672 NPC133140
Remote Similarity 0.6706 NPC263455
Remote Similarity 0.6705 NPC124542
Remote Similarity 0.6705 NPC471177
Remote Similarity 0.6705 NPC473764
Remote Similarity 0.6705 NPC314940
Remote Similarity 0.6705 NPC59779
Remote Similarity 0.6703 NPC284559
Remote Similarity 0.6686 NPC284348
Remote Similarity 0.6685 NPC118776
Remote Similarity 0.6684 NPC329708
Remote Similarity 0.6684 NPC264166
Remote Similarity 0.6684 NPC274291
Remote Similarity 0.6684 NPC165349
Remote Similarity 0.6684 NPC118832
Remote Similarity 0.6684 NPC47059
Remote Similarity 0.6667 NPC82548
Remote Similarity 0.6667 NPC92111
Remote Similarity 0.6667 NPC473057
Remote Similarity 0.6667 NPC83987
Remote Similarity 0.6649 NPC296527
Remote Similarity 0.6647 NPC26872
Remote Similarity 0.6647 NPC312860
Remote Similarity 0.6647 NPC302159
Remote Similarity 0.6647 NPC285635
Remote Similarity 0.6633 NPC185782
Remote Similarity 0.6633 NPC174672
Remote Similarity 0.6624 NPC165370
Remote Similarity 0.6613 NPC76748
Remote Similarity 0.6597 NPC476578
Remote Similarity 0.6597 NPC476582
Remote Similarity 0.6597 NPC4071
Remote Similarity 0.6596 NPC307963
Remote Similarity 0.6596 NPC198673
Remote Similarity 0.659 NPC113812
Remote Similarity 0.6573 NPC252590
Remote Similarity 0.6571 NPC211187
Remote Similarity 0.6556 NPC286195
Remote Similarity 0.6554 NPC319456
Remote Similarity 0.6548 NPC174758
Remote Similarity 0.6538 NPC222592
Remote Similarity 0.6538 NPC168486
Remote Similarity 0.6533 NPC26679
Remote Similarity 0.6532 NPC26850
Remote Similarity 0.6531 NPC193238
Remote Similarity 0.6522 NPC322488
Remote Similarity 0.6517 NPC256828
Remote Similarity 0.6513 NPC210256
Remote Similarity 0.6513 NPC476581
Remote Similarity 0.6513 NPC16452
Remote Similarity 0.6513 NPC36229
Remote Similarity 0.651 NPC287437
Remote Similarity 0.6508 NPC289786
Remote Similarity 0.6507 NPC76540
Remote Similarity 0.6507 NPC231655
Remote Similarity 0.6503 NPC470474
Remote Similarity 0.6502 NPC17565
Remote Similarity 0.65 NPC162530
Remote Similarity 0.6497 NPC108469
Remote Similarity 0.6488 NPC216612
Remote Similarity 0.6486 NPC42591
Remote Similarity 0.6486 NPC27802
Remote Similarity 0.648 NPC258773
Remote Similarity 0.6477 NPC176538
Remote Similarity 0.6477 NPC234197
Remote Similarity 0.6477 NPC315957
Remote Similarity 0.6471 NPC110741
Remote Similarity 0.6464 NPC224764
Remote Similarity 0.6458 NPC168911
Remote Similarity 0.6458 NPC239954
Remote Similarity 0.6456 NPC65277
Remote Similarity 0.6453 NPC314270
Remote Similarity 0.6448 NPC317010
Remote Similarity 0.6447 NPC313189
Remote Similarity 0.6445 NPC141053
Remote Similarity 0.6443 NPC470586
Remote Similarity 0.644 NPC251090
Remote Similarity 0.644 NPC13880
Remote Similarity 0.6436 NPC470799
Remote Similarity 0.6436 NPC8022
Remote Similarity 0.6432 NPC290689
Remote Similarity 0.6424 NPC104049
Remote Similarity 0.6422 NPC313804
Remote Similarity 0.6422 NPC315804
Remote Similarity 0.6415 NPC471313
Remote Similarity 0.6415 NPC471311
Remote Similarity 0.6411 NPC314954
Remote Similarity 0.6405 NPC471402
Remote Similarity 0.6405 NPC240136
Remote Similarity 0.6405 NPC297486
Remote Similarity 0.6404 NPC41717
Remote Similarity 0.6404 NPC473513
Remote Similarity 0.6398 NPC315320
Remote Similarity 0.6396 NPC323345
Remote Similarity 0.6396 NPC470164
Remote Similarity 0.6393 NPC42979
Remote Similarity 0.6393 NPC472168
Remote Similarity 0.6391 NPC167400
Remote Similarity 0.6373 NPC173080
Remote Similarity 0.6368 NPC296482
Remote Similarity 0.6368 NPC53069
Remote Similarity 0.6368 NPC202768
Remote Similarity 0.6364 NPC135549
Remote Similarity 0.6364 NPC65408
Remote Similarity 0.6359 NPC232727
Remote Similarity 0.6359 NPC31930
Remote Similarity 0.6355 NPC288349
Remote Similarity 0.6355 NPC274982
Remote Similarity 0.6346 NPC48564
Remote Similarity 0.6346 NPC265605
Remote Similarity 0.6346 NPC182570
Remote Similarity 0.6321 NPC224928
Remote Similarity 0.6316 NPC477974
Remote Similarity 0.6311 NPC54066
Remote Similarity 0.6308 NPC121772
Remote Similarity 0.6302 NPC135950
Remote Similarity 0.6292 NPC97367
Remote Similarity 0.6291 NPC235843
Remote Similarity 0.6287 NPC171409
Remote Similarity 0.6287 NPC202605
Remote Similarity 0.6287 NPC96405
Remote Similarity 0.6287 NPC112206
Remote Similarity 0.6286 NPC244536
Remote Similarity 0.6284 NPC316224
Remote Similarity 0.6284 NPC194724
Remote Similarity 0.627 NPC52831
Remote Similarity 0.627 NPC325705
Remote Similarity 0.6269 NPC109922
Remote Similarity 0.6266 NPC290094
Remote Similarity 0.6263 NPC3715
Remote Similarity 0.6263 NPC285558
Remote Similarity 0.6262 NPC292958
Remote Similarity 0.6258 NPC324611
Remote Similarity 0.625 NPC473901
Remote Similarity 0.6244 NPC102593
Remote Similarity 0.6244 NPC196718
Remote Similarity 0.6236 NPC79911
Remote Similarity 0.623 NPC312872

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  181.10
ALogP  -1.221
MLogP  2.01
XLogP  1.086
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  33.42
RO5 Violation  0