Drug Information

Drug ID:  NPD3686
Drug Name:  Dipivefrin Hydrochloride
Molecular Formula:  C19H29NO5.ClH
Canonical SMILES:  CNCC(c1ccc(c(c1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)O.Cl
Standard InCHI:  InChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6;/h8-10,13,20-21H,11H2,1-7H3;1H
Standard InCHIKey:  VKFAUCPBMAGVRG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3686

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 0.8333 NPC329595
Intermediate Similarity 0.8333 NPC326599
Intermediate Similarity 0.8156 NPC298486
Intermediate Similarity 0.8079 NPC204546
Intermediate Similarity 0.8056 NPC323775
Intermediate Similarity 0.8056 NPC236347
Intermediate Similarity 0.805 NPC37205
Intermediate Similarity 0.805 NPC160931
Intermediate Similarity 0.8025 NPC293871
Intermediate Similarity 0.8025 NPC124433
Intermediate Similarity 0.8014 NPC262641
Intermediate Similarity 0.8014 NPC267064
Intermediate Similarity 0.8013 NPC182119
Intermediate Similarity 0.8012 NPC158900
Intermediate Similarity 0.7961 NPC66518
Intermediate Similarity 0.7885 NPC277857
Intermediate Similarity 0.7885 NPC115144
Intermediate Similarity 0.7847 NPC279379
Intermediate Similarity 0.7847 NPC13020
Intermediate Similarity 0.7847 NPC140359
Intermediate Similarity 0.7793 NPC94276
Intermediate Similarity 0.7793 NPC109822
Intermediate Similarity 0.7763 NPC14600
Intermediate Similarity 0.7763 NPC312770
Intermediate Similarity 0.7763 NPC471719
Intermediate Similarity 0.7763 NPC41473
Intermediate Similarity 0.7763 NPC160607
Intermediate Similarity 0.7763 NPC204848
Intermediate Similarity 0.7748 NPC309744
Intermediate Similarity 0.774 NPC320242
Intermediate Similarity 0.773 NPC120075
Intermediate Similarity 0.7722 NPC471032
Intermediate Similarity 0.7722 NPC470935
Intermediate Similarity 0.7712 NPC299583
Intermediate Similarity 0.7712 NPC126206
Intermediate Similarity 0.7687 NPC191037
Intermediate Similarity 0.7687 NPC178284
Intermediate Similarity 0.7687 NPC58607
Intermediate Similarity 0.7671 NPC105513
Intermediate Similarity 0.7669 NPC78359
Intermediate Similarity 0.7669 NPC148014
Intermediate Similarity 0.7669 NPC40389
Intermediate Similarity 0.7669 NPC65490
Intermediate Similarity 0.7669 NPC315707
Intermediate Similarity 0.7665 NPC252960
Intermediate Similarity 0.7655 NPC71090
Intermediate Similarity 0.7647 NPC471664
Intermediate Similarity 0.7647 NPC471665
Intermediate Similarity 0.7643 NPC313414
Intermediate Similarity 0.7635 NPC292056
Intermediate Similarity 0.7635 NPC147821
Intermediate Similarity 0.7635 NPC183181
Intermediate Similarity 0.7635 NPC319625
Intermediate Similarity 0.7635 NPC118787
Intermediate Similarity 0.7635 NPC111247
Intermediate Similarity 0.7635 NPC163332
Intermediate Similarity 0.7635 NPC41706
Intermediate Similarity 0.7632 NPC135127
Intermediate Similarity 0.7622 NPC59028
Intermediate Similarity 0.7622 NPC92191
Intermediate Similarity 0.7622 NPC135961
Intermediate Similarity 0.7619 NPC194519
Intermediate Similarity 0.7613 NPC323204
Intermediate Similarity 0.7606 NPC137096
Intermediate Similarity 0.7602 NPC474470
Intermediate Similarity 0.7593 NPC475557
Intermediate Similarity 0.759 NPC218614
Intermediate Similarity 0.7586 NPC470804
Intermediate Similarity 0.7584 NPC210674
Intermediate Similarity 0.7569 NPC169207
Intermediate Similarity 0.7569 NPC115627
Intermediate Similarity 0.7569 NPC118522
Intermediate Similarity 0.7561 NPC129603
Intermediate Similarity 0.7552 NPC159916
Intermediate Similarity 0.7551 NPC48990
Intermediate Similarity 0.7551 NPC293701
Intermediate Similarity 0.7551 NPC114901
Intermediate Similarity 0.755 NPC307123
Intermediate Similarity 0.755 NPC97870
Intermediate Similarity 0.755 NPC247018
Intermediate Similarity 0.7548 NPC164148
Intermediate Similarity 0.7548 NPC43500
Intermediate Similarity 0.7533 NPC26653
Intermediate Similarity 0.7533 NPC470258
Intermediate Similarity 0.7533 NPC86030
Intermediate Similarity 0.7533 NPC202582
Intermediate Similarity 0.7533 NPC190629
Intermediate Similarity 0.7533 NPC226788
Intermediate Similarity 0.7533 NPC210623
Intermediate Similarity 0.7533 NPC270849
Intermediate Similarity 0.7533 NPC222004
Intermediate Similarity 0.7533 NPC273295
Intermediate Similarity 0.7533 NPC285339
Intermediate Similarity 0.7533 NPC218856
Intermediate Similarity 0.7533 NPC3439
Intermediate Similarity 0.7533 NPC5851
Intermediate Similarity 0.7532 NPC37468
Intermediate Similarity 0.7532 NPC473090
Intermediate Similarity 0.7531 NPC270811
Intermediate Similarity 0.7531 NPC471073
Intermediate Similarity 0.7518 NPC235250
Intermediate Similarity 0.7517 NPC153990
Intermediate Similarity 0.7517 NPC291847
Intermediate Similarity 0.7516 NPC237594
Intermediate Similarity 0.7516 NPC476387
Intermediate Similarity 0.7516 NPC119060
Intermediate Similarity 0.7516 NPC67247
Intermediate Similarity 0.7516 NPC249791
Intermediate Similarity 0.75 NPC181969
Intermediate Similarity 0.75 NPC320987
Intermediate Similarity 0.75 NPC141739
Intermediate Similarity 0.75 NPC5423
Intermediate Similarity 0.75 NPC37858
Intermediate Similarity 0.75 NPC329717
Intermediate Similarity 0.75 NPC280767
Intermediate Similarity 0.75 NPC136112
Intermediate Similarity 0.7484 NPC281780
Intermediate Similarity 0.7484 NPC473934
Intermediate Similarity 0.7483 NPC476399
Intermediate Similarity 0.7483 NPC79184
Intermediate Similarity 0.7483 NPC472024
Intermediate Similarity 0.7483 NPC307042
Intermediate Similarity 0.7483 NPC80600
Intermediate Similarity 0.747 NPC4304
Intermediate Similarity 0.747 NPC18402
Intermediate Similarity 0.7468 NPC161155
Intermediate Similarity 0.7468 NPC136951
Intermediate Similarity 0.7468 NPC97004
Intermediate Similarity 0.7467 NPC72529
Intermediate Similarity 0.7465 NPC10286
Intermediate Similarity 0.7465 NPC213
Intermediate Similarity 0.7453 NPC207824
Intermediate Similarity 0.7453 NPC60538
Intermediate Similarity 0.7452 NPC300611
Intermediate Similarity 0.7451 NPC307006
Intermediate Similarity 0.7451 NPC129889
Intermediate Similarity 0.745 NPC127604
Intermediate Similarity 0.745 NPC301713
Intermediate Similarity 0.7448 NPC35071
Intermediate Similarity 0.7448 NPC148615
Intermediate Similarity 0.7448 NPC177475
Intermediate Similarity 0.7447 NPC303522
Intermediate Similarity 0.7442 NPC329969
Intermediate Similarity 0.744 NPC35345
Intermediate Similarity 0.7436 NPC100389
Intermediate Similarity 0.7434 NPC472597
Intermediate Similarity 0.7434 NPC469625
Intermediate Similarity 0.7434 NPC470392
Intermediate Similarity 0.7434 NPC214869
Intermediate Similarity 0.7434 NPC30043
Intermediate Similarity 0.7434 NPC469613
Intermediate Similarity 0.7432 NPC60517
Intermediate Similarity 0.7432 NPC20443
Intermediate Similarity 0.7432 NPC146886
Intermediate Similarity 0.7431 NPC85276
Intermediate Similarity 0.7431 NPC124916
Intermediate Similarity 0.7431 NPC255675
Intermediate Similarity 0.7427 NPC225597
Intermediate Similarity 0.7427 NPC470739
Intermediate Similarity 0.7427 NPC477640
Intermediate Similarity 0.7421 NPC97282
Intermediate Similarity 0.7419 NPC471988
Intermediate Similarity 0.7419 NPC231163
Intermediate Similarity 0.7419 NPC318591
Intermediate Similarity 0.7417 NPC241354
Intermediate Similarity 0.7417 NPC166040
Intermediate Similarity 0.7417 NPC248355
Intermediate Similarity 0.7415 NPC209567
Intermediate Similarity 0.7405 NPC131971
Intermediate Similarity 0.7403 NPC264956
Intermediate Similarity 0.74 NPC474119
Intermediate Similarity 0.7397 NPC199023
Intermediate Similarity 0.7397 NPC183262
Intermediate Similarity 0.7391 NPC476347
Intermediate Similarity 0.7386 NPC245120
Intermediate Similarity 0.7386 NPC184447
Intermediate Similarity 0.7386 NPC160692
Intermediate Similarity 0.7386 NPC35932
Intermediate Similarity 0.7386 NPC16208
Intermediate Similarity 0.7386 NPC160991
Intermediate Similarity 0.7386 NPC7903
Intermediate Similarity 0.7376 NPC165646
Intermediate Similarity 0.7375 NPC469683
Intermediate Similarity 0.7375 NPC473909
Intermediate Similarity 0.7375 NPC143120
Intermediate Similarity 0.7375 NPC274960
Intermediate Similarity 0.7375 NPC163898
Intermediate Similarity 0.7368 NPC114102
Intermediate Similarity 0.7368 NPC469612
Intermediate Similarity 0.7368 NPC469614
Intermediate Similarity 0.7368 NPC474475
Intermediate Similarity 0.7368 NPC472338
Intermediate Similarity 0.7365 NPC471693
Intermediate Similarity 0.7362 NPC76213
Intermediate Similarity 0.7362 NPC277669
Intermediate Similarity 0.7358 NPC294249
Intermediate Similarity 0.7358 NPC138212
Intermediate Similarity 0.7358 NPC478239
Intermediate Similarity 0.7356 NPC474325
Intermediate Similarity 0.7356 NPC329816

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  351.20
ALogP  2.113
MLogP  2.89
XLogP  2.475
HDA  4
HBD  2
Rotatable Bonds  17
TPSA  84.86
RO5 Violation  0