Drug Information

Drug ID:  NPD828
Drug Name:  Tulobuterol
Molecular Formula:  C12H18ClNO
Canonical SMILES:  OC(c1ccccc1Cl)CNC(C)(C)C
Standard InCHI:  InChI=1S/C12H18ClNO/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13/h4-7,11,14-15H,8H2,1-3H3
Standard InCHIKey:  YREYLAVBNPACJM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD828

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 0.8636 NPC304761
High Similarity 0.8636 NPC226778
High Similarity 0.8636 NPC150254
High Similarity 0.8636 NPC147000
High Similarity 0.8624 NPC327226
Intermediate Similarity 0.8198 NPC214200
Intermediate Similarity 0.8198 NPC228400
Intermediate Similarity 0.8182 NPC164514
Intermediate Similarity 0.8182 NPC303611
Intermediate Similarity 0.8182 NPC108606
Intermediate Similarity 0.8182 NPC226096
Intermediate Similarity 0.8182 NPC290515
Intermediate Similarity 0.8073 NPC215351
Intermediate Similarity 0.8073 NPC20142
Intermediate Similarity 0.7705 NPC10286
Intermediate Similarity 0.7705 NPC213
Intermediate Similarity 0.7647 NPC24777
Intermediate Similarity 0.7581 NPC137096
Intermediate Similarity 0.7405 NPC322366
Intermediate Similarity 0.7355 NPC65855
Intermediate Similarity 0.7355 NPC292758
Intermediate Similarity 0.728 NPC101139
Intermediate Similarity 0.7213 NPC290566
Intermediate Similarity 0.7213 NPC145638
Intermediate Similarity 0.7025 NPC211551
Intermediate Similarity 0.7015 NPC323775
Intermediate Similarity 0.7015 NPC236347
Intermediate Similarity 0.7 NPC304538
Intermediate Similarity 0.7 NPC326232
Remote Similarity 0.6992 NPC474479
Remote Similarity 0.6972 NPC103326
Remote Similarity 0.6972 NPC99394
Remote Similarity 0.6972 NPC329319
Remote Similarity 0.6972 NPC87299
Remote Similarity 0.6917 NPC307020
Remote Similarity 0.6891 NPC125732
Remote Similarity 0.6884 NPC208757
Remote Similarity 0.6881 NPC117180
Remote Similarity 0.686 NPC68055
Remote Similarity 0.686 NPC471310
Remote Similarity 0.6833 NPC289381
Remote Similarity 0.6833 NPC155847
Remote Similarity 0.6815 NPC141739
Remote Similarity 0.6815 NPC320242
Remote Similarity 0.6815 NPC136112
Remote Similarity 0.6814 NPC211237
Remote Similarity 0.6812 NPC48909
Remote Similarity 0.681 NPC265521
Remote Similarity 0.6797 NPC113099
Remote Similarity 0.6748 NPC67043
Remote Similarity 0.6719 NPC1986
Remote Similarity 0.6719 NPC474544
Remote Similarity 0.6718 NPC85276
Remote Similarity 0.6715 NPC469666
Remote Similarity 0.6695 NPC58674
Remote Similarity 0.6694 NPC316797
Remote Similarity 0.6693 NPC269340
Remote Similarity 0.6667 NPC283760
Remote Similarity 0.6643 NPC247018
Remote Similarity 0.6643 NPC97870
Remote Similarity 0.6643 NPC307123
Remote Similarity 0.6621 NPC204546
Remote Similarity 0.6617 NPC118522
Remote Similarity 0.6617 NPC169207
Remote Similarity 0.6617 NPC115627
Remote Similarity 0.6614 NPC313981
Remote Similarity 0.6607 NPC172984
Remote Similarity 0.6594 NPC40488
Remote Similarity 0.6594 NPC17374
Remote Similarity 0.6573 NPC316906
Remote Similarity 0.6552 NPC1793
Remote Similarity 0.6552 NPC168861
Remote Similarity 0.6544 NPC285394
Remote Similarity 0.6532 NPC88267
Remote Similarity 0.6532 NPC194390
Remote Similarity 0.6532 NPC224610
Remote Similarity 0.6532 NPC113326
Remote Similarity 0.6522 NPC198747
Remote Similarity 0.6514 NPC66655
Remote Similarity 0.6462 NPC26524
Remote Similarity 0.6457 NPC97811
Remote Similarity 0.6452 NPC178902
Remote Similarity 0.6449 NPC65310
Remote Similarity 0.6444 NPC273830
Remote Similarity 0.6439 NPC188867
Remote Similarity 0.6439 NPC2265
Remote Similarity 0.6439 NPC281686
Remote Similarity 0.6439 NPC106551
Remote Similarity 0.6435 NPC93843
Remote Similarity 0.6434 NPC151706
Remote Similarity 0.6434 NPC474811
Remote Similarity 0.6434 NPC79465
Remote Similarity 0.6434 NPC90194
Remote Similarity 0.6434 NPC474787
Remote Similarity 0.6434 NPC293377
Remote Similarity 0.6434 NPC475318
Remote Similarity 0.6434 NPC9687
Remote Similarity 0.6434 NPC476102
Remote Similarity 0.6434 NPC49577
Remote Similarity 0.6434 NPC260045
Remote Similarity 0.6434 NPC76785
Remote Similarity 0.6434 NPC273907
Remote Similarity 0.6434 NPC474855
Remote Similarity 0.6434 NPC475598
Remote Similarity 0.6434 NPC118099
Remote Similarity 0.6429 NPC231705
Remote Similarity 0.6429 NPC133050
Remote Similarity 0.6423 NPC29601
Remote Similarity 0.6422 NPC139658
Remote Similarity 0.6414 NPC214988
Remote Similarity 0.6412 NPC118202
Remote Similarity 0.6412 NPC471318
Remote Similarity 0.6406 NPC258056
Remote Similarity 0.6397 NPC474862
Remote Similarity 0.6385 NPC146422
Remote Similarity 0.6378 NPC142297
Remote Similarity 0.6378 NPC186469
Remote Similarity 0.6377 NPC477248
Remote Similarity 0.6377 NPC477249
Remote Similarity 0.6372 NPC283012
Remote Similarity 0.6372 NPC475199
Remote Similarity 0.6364 NPC317254
Remote Similarity 0.6357 NPC474149
Remote Similarity 0.6349 NPC42383
Remote Similarity 0.6348 NPC474354
Remote Similarity 0.6343 NPC314992
Remote Similarity 0.6333 NPC325292
Remote Similarity 0.6333 NPC138117
Remote Similarity 0.6331 NPC318965
Remote Similarity 0.6328 NPC146096
Remote Similarity 0.6325 NPC12429
Remote Similarity 0.6316 NPC146703
Remote Similarity 0.6311 NPC33168
Remote Similarity 0.6311 NPC122493
Remote Similarity 0.6311 NPC293628
Remote Similarity 0.6311 NPC10781
Remote Similarity 0.6308 NPC21890
Remote Similarity 0.6304 NPC328267
Remote Similarity 0.6303 NPC79917
Remote Similarity 0.6301 NPC231163
Remote Similarity 0.6301 NPC318591
Remote Similarity 0.6299 NPC327481
Remote Similarity 0.6296 NPC239697
Remote Similarity 0.6294 NPC149379
Remote Similarity 0.6293 NPC474211
Remote Similarity 0.6281 NPC303045
Remote Similarity 0.6281 NPC161972
Remote Similarity 0.6276 NPC478140
Remote Similarity 0.6271 NPC470877
Remote Similarity 0.6261 NPC168855
Remote Similarity 0.626 NPC474073
Remote Similarity 0.6259 NPC62101
Remote Similarity 0.6259 NPC95733
Remote Similarity 0.625 NPC474473
Remote Similarity 0.625 NPC267237
Remote Similarity 0.625 NPC190663
Remote Similarity 0.625 NPC209463
Remote Similarity 0.6241 NPC311753
Remote Similarity 0.624 NPC318154
Remote Similarity 0.6239 NPC108218
Remote Similarity 0.6232 NPC298486
Remote Similarity 0.623 NPC313650
Remote Similarity 0.623 NPC3371
Remote Similarity 0.623 NPC25565
Remote Similarity 0.6224 NPC329595
Remote Similarity 0.6224 NPC476689
Remote Similarity 0.6224 NPC326599
Remote Similarity 0.6224 NPC476687
Remote Similarity 0.6224 NPC476685
Remote Similarity 0.6222 NPC142638
Remote Similarity 0.6222 NPC317784
Remote Similarity 0.6218 NPC159178
Remote Similarity 0.6218 NPC78041
Remote Similarity 0.6218 NPC471307
Remote Similarity 0.6218 NPC209764
Remote Similarity 0.6218 NPC74936
Remote Similarity 0.6218 NPC121872
Remote Similarity 0.6218 NPC141139
Remote Similarity 0.6216 NPC251439
Remote Similarity 0.6216 NPC57976
Remote Similarity 0.6214 NPC29477
Remote Similarity 0.6212 NPC91452
Remote Similarity 0.6212 NPC59387
Remote Similarity 0.6207 NPC470441
Remote Similarity 0.6207 NPC99482
Remote Similarity 0.6204 NPC56634
Remote Similarity 0.6204 NPC71684
Remote Similarity 0.6202 NPC96224
Remote Similarity 0.6202 NPC153690
Remote Similarity 0.6202 NPC24101
Remote Similarity 0.6202 NPC77294
Remote Similarity 0.6195 NPC192623
Remote Similarity 0.6194 NPC82963
Remote Similarity 0.6187 NPC255253
Remote Similarity 0.6181 NPC33338
Remote Similarity 0.6181 NPC300020
Remote Similarity 0.6181 NPC302171
Remote Similarity 0.6179 NPC324569
Remote Similarity 0.6179 NPC475439
Remote Similarity 0.6179 NPC473501

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  227.11
ALogP  0.8584
MLogP  2.45
XLogP  3.034
HDA  2
HBD  2
Rotatable Bonds  9
TPSA  32.26
RO5 Violation  0