Drug Information

Drug ID:  NPD230
Drug Name:  Propyl Gallate
Molecular Formula:  C10H12O5
Canonical SMILES:  CCCOC(=O)c1cc(O)c(c(c1)O)O
Standard InCHI:  InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
Standard InCHIKey:  ZTHYODDOHIVTJV-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD230

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 NPC304929
High Similarity 1.0 NPC1321
High Similarity 1.0 NPC156124
High Similarity 0.9844 NPC18646
High Similarity 0.9841 NPC264145
High Similarity 0.9767 NPC156892
High Similarity 0.9528 NPC226855
High Similarity 0.947 NPC239943
High Similarity 0.9398 NPC105525
High Similarity 0.9398 NPC225036
High Similarity 0.9398 NPC12218
High Similarity 0.9398 NPC75763
High Similarity 0.9394 NPC110899
High Similarity 0.9394 NPC125417
High Similarity 0.9394 NPC25305
High Similarity 0.9394 NPC112068
High Similarity 0.9394 NPC95679
High Similarity 0.937 NPC158654
High Similarity 0.9167 NPC155098
High Similarity 0.9127 NPC225710
High Similarity 0.9124 NPC226738
High Similarity 0.9124 NPC50221
High Similarity 0.9124 NPC190587
High Similarity 0.9124 NPC229036
High Similarity 0.9124 NPC114242
High Similarity 0.9124 NPC22176
High Similarity 0.9124 NPC121573
High Similarity 0.9111 NPC471819
High Similarity 0.9077 NPC94810
High Similarity 0.9058 NPC108455
High Similarity 0.8955 NPC274613
High Similarity 0.8955 NPC208760
High Similarity 0.8947 NPC283823
High Similarity 0.8947 NPC239855
High Similarity 0.8947 NPC159418
High Similarity 0.8947 NPC288743
High Similarity 0.8897 NPC207516
High Similarity 0.8889 NPC475111
High Similarity 0.8881 NPC237330
High Similarity 0.8881 NPC248150
High Similarity 0.8873 NPC306343
High Similarity 0.8872 NPC111888
High Similarity 0.8865 NPC120621
High Similarity 0.8865 NPC43123
High Similarity 0.8865 NPC248257
High Similarity 0.8865 NPC142528
High Similarity 0.8864 NPC299010
High Similarity 0.8849 NPC134975
High Similarity 0.8832 NPC4796
High Similarity 0.8803 NPC92117
High Similarity 0.8803 NPC75945
High Similarity 0.8803 NPC42464
High Similarity 0.8803 NPC107636
High Similarity 0.8794 NPC268366
High Similarity 0.875 NPC156307
High Similarity 0.875 NPC221249
High Similarity 0.875 NPC75695
High Similarity 0.8723 NPC262282
High Similarity 0.8722 NPC285776
High Similarity 0.8692 NPC145134
High Similarity 0.869 NPC310661
High Similarity 0.869 NPC105827
High Similarity 0.8681 NPC252979
High Similarity 0.8681 NPC96501
High Similarity 0.8681 NPC140151
High Similarity 0.8667 NPC153783
High Similarity 0.8661 NPC156654
High Similarity 0.8643 NPC299154
High Similarity 0.8636 NPC214620
High Similarity 0.8633 NPC326065
High Similarity 0.863 NPC281703
High Similarity 0.863 NPC125487
High Similarity 0.8623 NPC112135
High Similarity 0.8611 NPC473091
High Similarity 0.8601 NPC476463
High Similarity 0.8583 NPC27633
High Similarity 0.8583 NPC94298
High Similarity 0.8582 NPC469615
High Similarity 0.8571 NPC156624
High Similarity 0.8571 NPC145425
High Similarity 0.8571 NPC172920
High Similarity 0.8562 NPC16024
High Similarity 0.8562 NPC44260
High Similarity 0.8562 NPC205037
High Similarity 0.8562 NPC161159
High Similarity 0.8562 NPC61152
High Similarity 0.8562 NPC3746
High Similarity 0.8561 NPC474875
High Similarity 0.8561 NPC295492
High Similarity 0.8561 NPC274891
High Similarity 0.8561 NPC476819
High Similarity 0.8561 NPC476820
High Similarity 0.8561 NPC26241
High Similarity 0.8561 NPC95309
High Similarity 0.8561 NPC303683
High Similarity 0.8561 NPC205751
High Similarity 0.8529 NPC157478
High Similarity 0.8529 NPC200422
High Similarity 0.8529 NPC289572
High Similarity 0.8529 NPC295406
High Similarity 0.8521 NPC469683
High Similarity 0.8521 NPC257025
High Similarity 0.8519 NPC219892
High Similarity 0.8519 NPC189823
High Similarity 0.8519 NPC318799
High Similarity 0.8511 NPC312256
High Similarity 0.8503 NPC238672
High Similarity 0.8503 NPC281477
High Similarity 0.8503 NPC144801
High Similarity 0.8503 NPC197188
High Similarity 0.8503 NPC43872
High Similarity 0.8503 NPC291510
High Similarity 0.8503 NPC116850
High Similarity 0.85 NPC187690
High Similarity 0.85 NPC158472
High Similarity 0.85 NPC50823
Intermediate Similarity 0.8496 NPC107672
Intermediate Similarity 0.8493 NPC204350
Intermediate Similarity 0.8493 NPC92747
Intermediate Similarity 0.8493 NPC265862
Intermediate Similarity 0.8489 NPC302857
Intermediate Similarity 0.8489 NPC278068
Intermediate Similarity 0.8489 NPC219428
Intermediate Similarity 0.8489 NPC142703
Intermediate Similarity 0.8489 NPC152942
Intermediate Similarity 0.8489 NPC37250
Intermediate Similarity 0.8478 NPC326847
Intermediate Similarity 0.8478 NPC235115
Intermediate Similarity 0.8472 NPC472969
Intermediate Similarity 0.8467 NPC106406
Intermediate Similarity 0.8462 NPC83272
Intermediate Similarity 0.8462 NPC473867
Intermediate Similarity 0.8456 NPC1913
Intermediate Similarity 0.8456 NPC104275
Intermediate Similarity 0.8456 NPC472860
Intermediate Similarity 0.8456 NPC4747
Intermediate Similarity 0.8451 NPC287722
Intermediate Similarity 0.8446 NPC203757
Intermediate Similarity 0.8446 NPC199926
Intermediate Similarity 0.8446 NPC79998
Intermediate Similarity 0.8446 NPC82592
Intermediate Similarity 0.8446 NPC16082
Intermediate Similarity 0.844 NPC90411
Intermediate Similarity 0.844 NPC110419
Intermediate Similarity 0.8433 NPC79332
Intermediate Similarity 0.8433 NPC304747
Intermediate Similarity 0.8433 NPC109275
Intermediate Similarity 0.8429 NPC52358
Intermediate Similarity 0.8429 NPC203351
Intermediate Similarity 0.8429 NPC247409
Intermediate Similarity 0.8429 NPC275356
Intermediate Similarity 0.8425 NPC131192
Intermediate Similarity 0.8421 NPC154275
Intermediate Similarity 0.8417 NPC70380
Intermediate Similarity 0.8417 NPC135837
Intermediate Similarity 0.8414 NPC476394
Intermediate Similarity 0.8414 NPC98809
Intermediate Similarity 0.8406 NPC267539
Intermediate Similarity 0.8406 NPC176102
Intermediate Similarity 0.8406 NPC29317
Intermediate Similarity 0.8406 NPC204257
Intermediate Similarity 0.8406 NPC139519
Intermediate Similarity 0.8406 NPC254832
Intermediate Similarity 0.8406 NPC229638
Intermediate Similarity 0.8406 NPC71108
Intermediate Similarity 0.8403 NPC138978
Intermediate Similarity 0.8403 NPC143903
Intermediate Similarity 0.8403 NPC165389
Intermediate Similarity 0.8403 NPC229264
Intermediate Similarity 0.8403 NPC226987
Intermediate Similarity 0.84 NPC289811
Intermediate Similarity 0.84 NPC160780
Intermediate Similarity 0.84 NPC87317
Intermediate Similarity 0.8392 NPC207732
Intermediate Similarity 0.8392 NPC105213
Intermediate Similarity 0.8392 NPC113397
Intermediate Similarity 0.8389 NPC239019
Intermediate Similarity 0.8389 NPC250436
Intermediate Similarity 0.8389 NPC150227
Intermediate Similarity 0.8389 NPC300845
Intermediate Similarity 0.8389 NPC318432
Intermediate Similarity 0.8389 NPC104983
Intermediate Similarity 0.8389 NPC88803
Intermediate Similarity 0.8389 NPC247629
Intermediate Similarity 0.8389 NPC291948
Intermediate Similarity 0.8389 NPC134925
Intermediate Similarity 0.838 NPC258469
Intermediate Similarity 0.838 NPC43158
Intermediate Similarity 0.838 NPC472016
Intermediate Similarity 0.838 NPC277315
Intermediate Similarity 0.838 NPC192831
Intermediate Similarity 0.838 NPC284556
Intermediate Similarity 0.838 NPC301178
Intermediate Similarity 0.837 NPC48315
Intermediate Similarity 0.8369 NPC290664
Intermediate Similarity 0.8369 NPC327187
Intermediate Similarity 0.8367 NPC93498
Intermediate Similarity 0.8367 NPC163883
Intermediate Similarity 0.8358 NPC281020
Intermediate Similarity 0.8357 NPC94248

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  212.07
ALogP  -1.6971
MLogP  2.01
XLogP  1.104
HDA  2
HBD  3
Rotatable Bonds  8
TPSA  86.99
RO5 Violation  0