Drug Information

Drug ID:  NPD1651
Drug Name:  Nabumetone
Molecular Formula:  C15H16O2
Canonical SMILES:  COc1ccc2c(c1)ccc(c2)CCC(=O)C
Standard InCHI:  InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
Standard InCHIKey:  BLXXJMDCKKHMKV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1651

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 0.916 NPC75432
High Similarity 0.916 NPC111088
High Similarity 0.888 NPC183103
High Similarity 0.8852 NPC474737
High Similarity 0.878 NPC428300
High Similarity 0.8699 NPC177925
High Similarity 0.8649 NPC241224
High Similarity 0.8644 NPC25648
High Similarity 0.8632 NPC283169
High Similarity 0.8618 NPC232387
High Similarity 0.8583 NPC103916
High Similarity 0.8571 NPC470725
High Similarity 0.8559 NPC298224
High Similarity 0.8538 NPC186647
High Similarity 0.8516 NPC470406
High Similarity 0.8504 NPC239134
High Similarity 0.8504 NPC164295
Intermediate Similarity 0.8482 NPC38209
Intermediate Similarity 0.8473 NPC475104
Intermediate Similarity 0.8468 NPC300166
Intermediate Similarity 0.8448 NPC470723
Intermediate Similarity 0.8413 NPC181675
Intermediate Similarity 0.8403 NPC312105
Intermediate Similarity 0.8397 NPC290601
Intermediate Similarity 0.8361 NPC129176
Intermediate Similarity 0.8346 NPC57552
Intermediate Similarity 0.8346 NPC206028
Intermediate Similarity 0.8333 NPC233707
Intermediate Similarity 0.8333 NPC469954
Intermediate Similarity 0.8308 NPC324117
Intermediate Similarity 0.8308 NPC209858
Intermediate Similarity 0.8295 NPC312560
Intermediate Similarity 0.8271 NPC470407
Intermediate Similarity 0.8264 NPC328694
Intermediate Similarity 0.8264 NPC63010
Intermediate Similarity 0.8254 NPC474264
Intermediate Similarity 0.825 NPC19290
Intermediate Similarity 0.8244 NPC88065
Intermediate Similarity 0.8244 NPC95485
Intermediate Similarity 0.8244 NPC89504
Intermediate Similarity 0.824 NPC56332
Intermediate Similarity 0.8226 NPC176208
Intermediate Similarity 0.8217 NPC279596
Intermediate Similarity 0.8211 NPC212559
Intermediate Similarity 0.819 NPC75440
Intermediate Similarity 0.8182 NPC475549
Intermediate Similarity 0.8182 NPC471670
Intermediate Similarity 0.8175 NPC257589
Intermediate Similarity 0.8175 NPC53305
Intermediate Similarity 0.8174 NPC1065
Intermediate Similarity 0.8168 NPC1249
Intermediate Similarity 0.8168 NPC274876
Intermediate Similarity 0.8168 NPC213122
Intermediate Similarity 0.816 NPC182646
Intermediate Similarity 0.8151 NPC35344
Intermediate Similarity 0.8151 NPC141003
Intermediate Similarity 0.8151 NPC109241
Intermediate Similarity 0.813 NPC478121
Intermediate Similarity 0.812 NPC156888
Intermediate Similarity 0.812 NPC470722
Intermediate Similarity 0.812 NPC470721
Intermediate Similarity 0.812 NPC6100
Intermediate Similarity 0.8115 NPC171023
Intermediate Similarity 0.811 NPC127937
Intermediate Similarity 0.811 NPC92207
Intermediate Similarity 0.8106 NPC22644
Intermediate Similarity 0.8106 NPC152209
Intermediate Similarity 0.8102 NPC472836
Intermediate Similarity 0.8099 NPC33900
Intermediate Similarity 0.8095 NPC30216
Intermediate Similarity 0.8088 NPC201297
Intermediate Similarity 0.808 NPC121168
Intermediate Similarity 0.808 NPC152946
Intermediate Similarity 0.807 NPC12870
Intermediate Similarity 0.807 NPC24327
Intermediate Similarity 0.8065 NPC32322
Intermediate Similarity 0.8065 NPC277798
Intermediate Similarity 0.8065 NPC259703
Intermediate Similarity 0.8065 NPC100108
Intermediate Similarity 0.8051 NPC475852
Intermediate Similarity 0.8047 NPC100129
Intermediate Similarity 0.8047 NPC223807
Intermediate Similarity 0.8031 NPC105031
Intermediate Similarity 0.8029 NPC158871
Intermediate Similarity 0.8029 NPC84266
Intermediate Similarity 0.8015 NPC474340
Intermediate Similarity 0.8 NPC165106
Intermediate Similarity 0.8 NPC27659
Intermediate Similarity 0.8 NPC201777
Intermediate Similarity 0.8 NPC245395
Intermediate Similarity 0.7984 NPC226661
Intermediate Similarity 0.7983 NPC23332
Intermediate Similarity 0.7971 NPC91694
Intermediate Similarity 0.7971 NPC300603
Intermediate Similarity 0.7971 NPC308006
Intermediate Similarity 0.7971 NPC189650
Intermediate Similarity 0.7971 NPC290038
Intermediate Similarity 0.797 NPC252343
Intermediate Similarity 0.7969 NPC84076
Intermediate Similarity 0.7969 NPC179777
Intermediate Similarity 0.7969 NPC303680
Intermediate Similarity 0.7969 NPC90128
Intermediate Similarity 0.7966 NPC234639
Intermediate Similarity 0.7966 NPC259554
Intermediate Similarity 0.7956 NPC182255
Intermediate Similarity 0.7956 NPC94076
Intermediate Similarity 0.7939 NPC301717
Intermediate Similarity 0.7937 NPC30462
Intermediate Similarity 0.7923 NPC304622
Intermediate Similarity 0.792 NPC241001
Intermediate Similarity 0.792 NPC131868
Intermediate Similarity 0.7917 NPC286222
Intermediate Similarity 0.7914 NPC49282
Intermediate Similarity 0.791 NPC471182
Intermediate Similarity 0.7907 NPC123722
Intermediate Similarity 0.7907 NPC151167
Intermediate Similarity 0.7907 NPC123228
Intermediate Similarity 0.7907 NPC5018
Intermediate Similarity 0.7907 NPC45537
Intermediate Similarity 0.7907 NPC276466
Intermediate Similarity 0.7907 NPC53781
Intermediate Similarity 0.7903 NPC299406
Intermediate Similarity 0.7899 NPC183648
Intermediate Similarity 0.7899 NPC167663
Intermediate Similarity 0.7899 NPC303521
Intermediate Similarity 0.7899 NPC53016
Intermediate Similarity 0.7895 NPC27394
Intermediate Similarity 0.7891 NPC3221
Intermediate Similarity 0.7891 NPC4286
Intermediate Similarity 0.7891 NPC76119
Intermediate Similarity 0.7886 NPC185738
Intermediate Similarity 0.7883 NPC149780
Intermediate Similarity 0.7881 NPC201959
Intermediate Similarity 0.7879 NPC165612
Intermediate Similarity 0.7876 NPC470161
Intermediate Similarity 0.7874 NPC474691
Intermediate Similarity 0.7874 NPC244876
Intermediate Similarity 0.7874 NPC163083
Intermediate Similarity 0.7874 NPC471187
Intermediate Similarity 0.7872 NPC472841
Intermediate Similarity 0.7869 NPC473264
Intermediate Similarity 0.7869 NPC47194
Intermediate Similarity 0.7869 NPC51345
Intermediate Similarity 0.7869 NPC475815
Intermediate Similarity 0.7868 NPC223336
Intermediate Similarity 0.7868 NPC1268
Intermediate Similarity 0.7863 NPC30416
Intermediate Similarity 0.7863 NPC319282
Intermediate Similarity 0.7863 NPC311419
Intermediate Similarity 0.7863 NPC275724
Intermediate Similarity 0.7863 NPC215941
Intermediate Similarity 0.7863 NPC253488
Intermediate Similarity 0.7863 NPC113457
Intermediate Similarity 0.7863 NPC123196
Intermediate Similarity 0.7863 NPC137427
Intermediate Similarity 0.7863 NPC65935
Intermediate Similarity 0.7863 NPC475102
Intermediate Similarity 0.7863 NPC244246
Intermediate Similarity 0.7857 NPC154696
Intermediate Similarity 0.7857 NPC39361
Intermediate Similarity 0.7857 NPC473927
Intermediate Similarity 0.7857 NPC251259
Intermediate Similarity 0.7846 NPC23012
Intermediate Similarity 0.7846 NPC215300
Intermediate Similarity 0.7846 NPC38017
Intermediate Similarity 0.7846 NPC96024
Intermediate Similarity 0.7845 NPC12987
Intermediate Similarity 0.7845 NPC474603
Intermediate Similarity 0.7842 NPC260152
Intermediate Similarity 0.7842 NPC471305
Intermediate Similarity 0.784 NPC318552
Intermediate Similarity 0.784 NPC190501
Intermediate Similarity 0.7829 NPC170485
Intermediate Similarity 0.7826 NPC141817
Intermediate Similarity 0.7826 NPC176030
Intermediate Similarity 0.7826 NPC137920
Intermediate Similarity 0.7826 NPC192597
Intermediate Similarity 0.7826 NPC169214
Intermediate Similarity 0.7826 NPC86455
Intermediate Similarity 0.7826 NPC69755
Intermediate Similarity 0.7826 NPC229218
Intermediate Similarity 0.7826 NPC125134
Intermediate Similarity 0.7823 NPC205502
Intermediate Similarity 0.782 NPC472524
Intermediate Similarity 0.7817 NPC329933
Intermediate Similarity 0.7815 NPC58865
Intermediate Similarity 0.7812 NPC228503
Intermediate Similarity 0.7812 NPC474766
Intermediate Similarity 0.7812 NPC89630
Intermediate Similarity 0.7812 NPC61685
Intermediate Similarity 0.7812 NPC470162
Intermediate Similarity 0.7812 NPC138248
Intermediate Similarity 0.7812 NPC470163
Intermediate Similarity 0.7812 NPC181334
Intermediate Similarity 0.781 NPC78987
Intermediate Similarity 0.781 NPC19158
Intermediate Similarity 0.781 NPC472523
Intermediate Similarity 0.781 NPC29599
Intermediate Similarity 0.781 NPC82336
Intermediate Similarity 0.7805 NPC9341

Drug Structure

External Identifiers

TTD   DIB010213; DAP000735
DrugBank   DB00461
ChEMBL   CHEMBL1070
IUPHAR/BPS   7245
PharmaGKB   PA450572
KEGG Drug   D00425
PubChem CID   4409
ChEBI   7443
CAS Number  42924-53-8

Drug Properties

Molecular Weight  228.12
ALogP  -0.2085
MLogP  2.89
XLogP  4.291
HDA  1
HBD  0
Rotatable Bonds  6
TPSA  26.3
RO5 Violation  0