Drug Information

Drug ID:  NPD1110
Drug Name:  Procaine
Molecular Formula:  C13H20N2O2
Canonical SMILES:  CCN(CCOC(=O)c1ccc(cc1)N)CC
Standard InCHI:  InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
Standard InCHIKey:  MFDFERRIHVXMIY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1110

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
High Similarity 1.0 NPC319645
Intermediate Similarity 0.8148 NPC226794
Intermediate Similarity 0.812 NPC150323
Intermediate Similarity 0.8058 NPC314098
Intermediate Similarity 0.8043 NPC122235
Intermediate Similarity 0.7958 NPC173295
Intermediate Similarity 0.7956 NPC205946
Intermediate Similarity 0.7815 NPC314223
Intermediate Similarity 0.7673 NPC470971
Intermediate Similarity 0.7619 NPC242933
Intermediate Similarity 0.7518 NPC322433
Intermediate Similarity 0.745 NPC43477
Intermediate Similarity 0.7445 NPC229353
Intermediate Similarity 0.7397 NPC253476
Intermediate Similarity 0.7394 NPC314278
Intermediate Similarity 0.7357 NPC26285
Intermediate Similarity 0.7338 NPC130931
Intermediate Similarity 0.7267 NPC472243
Intermediate Similarity 0.7206 NPC57051
Intermediate Similarity 0.7203 NPC470343
Intermediate Similarity 0.7203 NPC472244
Intermediate Similarity 0.7176 NPC38262
Intermediate Similarity 0.7171 NPC472241
Intermediate Similarity 0.717 NPC63370
Intermediate Similarity 0.717 NPC36836
Intermediate Similarity 0.7133 NPC287358
Intermediate Similarity 0.7133 NPC281104
Intermediate Similarity 0.7125 NPC61013
Intermediate Similarity 0.7125 NPC123241
Intermediate Similarity 0.7097 NPC259678
Intermediate Similarity 0.7081 NPC193410
Intermediate Similarity 0.7078 NPC190945
Intermediate Similarity 0.7059 NPC301702
Intermediate Similarity 0.7059 NPC288305
Intermediate Similarity 0.7055 NPC189116
Intermediate Similarity 0.7054 NPC35448
Intermediate Similarity 0.7054 NPC78701
Intermediate Similarity 0.7051 NPC315829
Intermediate Similarity 0.7037 NPC248117
Intermediate Similarity 0.7032 NPC472242
Intermediate Similarity 0.7007 NPC472245
Intermediate Similarity 0.7 NPC161827
Intermediate Similarity 0.7 NPC146351
Remote Similarity 0.6994 NPC293458
Remote Similarity 0.6986 NPC307437
Remote Similarity 0.6986 NPC58827
Remote Similarity 0.6986 NPC72473
Remote Similarity 0.6977 NPC276775
Remote Similarity 0.6977 NPC92754
Remote Similarity 0.6977 NPC249912
Remote Similarity 0.6974 NPC181527
Remote Similarity 0.6933 NPC474058
Remote Similarity 0.6923 NPC225060
Remote Similarity 0.6919 NPC159963
Remote Similarity 0.6903 NPC308197
Remote Similarity 0.6901 NPC226143
Remote Similarity 0.6882 NPC186669
Remote Similarity 0.6879 NPC478039
Remote Similarity 0.6871 NPC63210
Remote Similarity 0.6871 NPC97380
Remote Similarity 0.6871 NPC310403
Remote Similarity 0.6871 NPC263709
Remote Similarity 0.6871 NPC148468
Remote Similarity 0.6871 NPC243673
Remote Similarity 0.6859 NPC314186
Remote Similarity 0.6842 NPC301943
Remote Similarity 0.6842 NPC474365
Remote Similarity 0.6839 NPC322621
Remote Similarity 0.6826 NPC223595
Remote Similarity 0.6826 NPC224970
Remote Similarity 0.6826 NPC167724
Remote Similarity 0.6824 NPC150863
Remote Similarity 0.6822 NPC130398
Remote Similarity 0.6818 NPC70624
Remote Similarity 0.6803 NPC250476
Remote Similarity 0.6779 NPC280807
Remote Similarity 0.6779 NPC314431
Remote Similarity 0.6766 NPC472114
Remote Similarity 0.6766 NPC472115
Remote Similarity 0.6761 NPC14994
Remote Similarity 0.6744 NPC321211
Remote Similarity 0.6742 NPC325497
Remote Similarity 0.6742 NPC118343
Remote Similarity 0.6742 NPC25401
Remote Similarity 0.6741 NPC476198
Remote Similarity 0.6733 NPC231382
Remote Similarity 0.6725 NPC264482
Remote Similarity 0.6725 NPC203202
Remote Similarity 0.6724 NPC470317
Remote Similarity 0.6723 NPC316405
Remote Similarity 0.6707 NPC52059
Remote Similarity 0.6707 NPC470069
Remote Similarity 0.6707 NPC153694
Remote Similarity 0.6707 NPC211525
Remote Similarity 0.6706 NPC73280
Remote Similarity 0.6705 NPC160381
Remote Similarity 0.6692 NPC42211
Remote Similarity 0.6688 NPC159722
Remote Similarity 0.6687 NPC242000
Remote Similarity 0.6686 NPC471742
Remote Similarity 0.6667 NPC182131
Remote Similarity 0.6667 NPC36495
Remote Similarity 0.6648 NPC22476
Remote Similarity 0.6647 NPC99043
Remote Similarity 0.6647 NPC218594
Remote Similarity 0.6647 NPC6974
Remote Similarity 0.6646 NPC473329
Remote Similarity 0.6646 NPC214239
Remote Similarity 0.6642 NPC172170
Remote Similarity 0.6642 NPC56493
Remote Similarity 0.6642 NPC188895
Remote Similarity 0.663 NPC135950
Remote Similarity 0.6618 NPC269457
Remote Similarity 0.6617 NPC203925
Remote Similarity 0.6608 NPC177261
Remote Similarity 0.6603 NPC181526
Remote Similarity 0.6603 NPC314252
Remote Similarity 0.6594 NPC17417
Remote Similarity 0.6594 NPC469636
Remote Similarity 0.6594 NPC10251
Remote Similarity 0.6592 NPC5630
Remote Similarity 0.6591 NPC97584
Remote Similarity 0.6581 NPC316574
Remote Similarity 0.6576 NPC123395
Remote Similarity 0.6571 NPC197335
Remote Similarity 0.6569 NPC119271
Remote Similarity 0.6556 NPC203628
Remote Similarity 0.6556 NPC194562
Remote Similarity 0.6556 NPC477432
Remote Similarity 0.655 NPC249614
Remote Similarity 0.6548 NPC313757
Remote Similarity 0.6547 NPC251854
Remote Similarity 0.6547 NPC214067
Remote Similarity 0.6547 NPC174099
Remote Similarity 0.6547 NPC196246
Remote Similarity 0.6547 NPC24777
Remote Similarity 0.6547 NPC93084
Remote Similarity 0.6543 NPC241392
Remote Similarity 0.6534 NPC314659
Remote Similarity 0.6527 NPC93653
Remote Similarity 0.6527 NPC27904
Remote Similarity 0.6517 NPC87391
Remote Similarity 0.6512 NPC21752
Remote Similarity 0.6512 NPC210415
Remote Similarity 0.6512 NPC276993
Remote Similarity 0.6512 NPC191310
Remote Similarity 0.6512 NPC293255
Remote Similarity 0.6512 NPC181138
Remote Similarity 0.6512 NPC298851
Remote Similarity 0.651 NPC118940
Remote Similarity 0.651 NPC474926
Remote Similarity 0.6509 NPC299582
Remote Similarity 0.6505 NPC232600
Remote Similarity 0.6503 NPC303214
Remote Similarity 0.65 NPC313293
Remote Similarity 0.65 NPC476003
Remote Similarity 0.65 NPC1082
Remote Similarity 0.65 NPC305912
Remote Similarity 0.65 NPC474157
Remote Similarity 0.6494 NPC266425
Remote Similarity 0.649 NPC311753
Remote Similarity 0.6488 NPC253667
Remote Similarity 0.6488 NPC35510
Remote Similarity 0.6486 NPC103361
Remote Similarity 0.6475 NPC265407
Remote Similarity 0.6475 NPC474364
Remote Similarity 0.6475 NPC83628
Remote Similarity 0.6474 NPC329338
Remote Similarity 0.6474 NPC469726
Remote Similarity 0.6474 NPC285192
Remote Similarity 0.6471 NPC471652
Remote Similarity 0.6471 NPC89886
Remote Similarity 0.6462 NPC473837
Remote Similarity 0.6461 NPC49184
Remote Similarity 0.6456 NPC316202
Remote Similarity 0.6454 NPC82899
Remote Similarity 0.6454 NPC269340
Remote Similarity 0.6454 NPC321852
Remote Similarity 0.6454 NPC270699
Remote Similarity 0.6453 NPC318183
Remote Similarity 0.6453 NPC292265
Remote Similarity 0.6443 NPC317758
Remote Similarity 0.6438 NPC177684
Remote Similarity 0.6438 NPC323798
Remote Similarity 0.6438 NPC291962
Remote Similarity 0.6437 NPC84347
Remote Similarity 0.6434 NPC173443
Remote Similarity 0.6433 NPC470894
Remote Similarity 0.6429 NPC158854
Remote Similarity 0.6423 NPC31786
Remote Similarity 0.6418 NPC322598
Remote Similarity 0.6409 NPC469489
Remote Similarity 0.6408 NPC128368
Remote Similarity 0.64 NPC325013
Remote Similarity 0.64 NPC14849
Remote Similarity 0.6395 NPC112373
Remote Similarity 0.6395 NPC258531
Remote Similarity 0.6395 NPC179605
Remote Similarity 0.6395 NPC161956
Remote Similarity 0.6395 NPC279385

Drug Structure

External Identifiers

TTD   DIB011694; DAP000296
DrugBank   DB00721
ChEMBL   CHEMBL569
IUPHAR/BPS   4291
PharmaGKB   PA451110
KEGG Drug   D08422
PubChem CID   4914
ChEBI   8430
CAS Number  59-46-1

Drug Properties

Molecular Weight  236.15
ALogP  -0.0992
MLogP  2.45
XLogP  2.023
HDA  4
HBD  1
Rotatable Bonds  10
TPSA  55.56
RO5 Violation  0