Drug Information

Drug ID:  NPD5711
Drug Name:  Mycophenolate Mofetil
Molecular Formula:  C23H31NO7
Canonical SMILES:  COc1c(C/C=C(/CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O
Standard InCHI:  InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
Standard InCHIKey:  RTGDFNSFWBGLEC-SYZQJQIISA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5711

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 0.902 NPC75694
High Similarity 0.8903 NPC137296
High Similarity 0.8903 NPC8817
High Similarity 0.8839 NPC470357
High Similarity 0.8616 NPC119929
High Similarity 0.8537 NPC470358
High Similarity 0.8509 NPC271681
Intermediate Similarity 0.8491 NPC470359
Intermediate Similarity 0.8471 NPC309692
Intermediate Similarity 0.8457 NPC477669
Intermediate Similarity 0.8408 NPC159721
Intermediate Similarity 0.8397 NPC90411
Intermediate Similarity 0.8395 NPC273483
Intermediate Similarity 0.8365 NPC163846
Intermediate Similarity 0.8365 NPC225173
Intermediate Similarity 0.8354 NPC477674
Intermediate Similarity 0.8354 NPC42540
Intermediate Similarity 0.8354 NPC151607
Intermediate Similarity 0.8344 NPC472799
Intermediate Similarity 0.8333 NPC477672
Intermediate Similarity 0.8333 NPC165172
Intermediate Similarity 0.8333 NPC477673
Intermediate Similarity 0.8323 NPC291049
Intermediate Similarity 0.8323 NPC233267
Intermediate Similarity 0.8313 NPC125801
Intermediate Similarity 0.8312 NPC472599
Intermediate Similarity 0.8291 NPC471731
Intermediate Similarity 0.8291 NPC51106
Intermediate Similarity 0.8291 NPC469542
Intermediate Similarity 0.8291 NPC472006
Intermediate Similarity 0.8282 NPC175978
Intermediate Similarity 0.8282 NPC217447
Intermediate Similarity 0.828 NPC67650
Intermediate Similarity 0.828 NPC1704
Intermediate Similarity 0.8272 NPC150928
Intermediate Similarity 0.8272 NPC179178
Intermediate Similarity 0.8269 NPC275356
Intermediate Similarity 0.8263 NPC117985
Intermediate Similarity 0.8261 NPC172329
Intermediate Similarity 0.8261 NPC105415
Intermediate Similarity 0.8261 NPC37139
Intermediate Similarity 0.8261 NPC2569
Intermediate Similarity 0.825 NPC260946
Intermediate Similarity 0.825 NPC107625
Intermediate Similarity 0.8242 NPC146211
Intermediate Similarity 0.8242 NPC150227
Intermediate Similarity 0.8235 NPC129578
Intermediate Similarity 0.8228 NPC469579
Intermediate Similarity 0.8228 NPC471733
Intermediate Similarity 0.8221 NPC200773
Intermediate Similarity 0.8221 NPC133856
Intermediate Similarity 0.8221 NPC215921
Intermediate Similarity 0.8221 NPC70016
Intermediate Similarity 0.8221 NPC240768
Intermediate Similarity 0.8217 NPC472600
Intermediate Similarity 0.8217 NPC472601
Intermediate Similarity 0.8204 NPC143050
Intermediate Similarity 0.8199 NPC53362
Intermediate Similarity 0.8199 NPC166583
Intermediate Similarity 0.8194 NPC156967
Intermediate Similarity 0.8193 NPC263483
Intermediate Similarity 0.8193 NPC84935
Intermediate Similarity 0.8193 NPC77679
Intermediate Similarity 0.8193 NPC190020
Intermediate Similarity 0.8187 NPC473692
Intermediate Similarity 0.8182 NPC199926
Intermediate Similarity 0.8182 NPC149618
Intermediate Similarity 0.8182 NPC89625
Intermediate Similarity 0.8182 NPC477671
Intermediate Similarity 0.8182 NPC477687
Intermediate Similarity 0.8176 NPC472344
Intermediate Similarity 0.8167 NPC204580
Intermediate Similarity 0.8165 NPC472605
Intermediate Similarity 0.8165 NPC472603
Intermediate Similarity 0.8165 NPC472604
Intermediate Similarity 0.816 NPC158866
Intermediate Similarity 0.816 NPC202595
Intermediate Similarity 0.8141 NPC245058
Intermediate Similarity 0.8141 NPC135837
Intermediate Similarity 0.814 NPC477572
Intermediate Similarity 0.814 NPC477571
Intermediate Similarity 0.814 NPC477573
Intermediate Similarity 0.8136 NPC469437
Intermediate Similarity 0.8133 NPC180924
Intermediate Similarity 0.8133 NPC477675
Intermediate Similarity 0.8125 NPC470932
Intermediate Similarity 0.8122 NPC83019
Intermediate Similarity 0.8113 NPC474385
Intermediate Similarity 0.8113 NPC250755
Intermediate Similarity 0.811 NPC232645
Intermediate Similarity 0.811 NPC72958
Intermediate Similarity 0.8098 NPC270160
Intermediate Similarity 0.8098 NPC237440
Intermediate Similarity 0.8098 NPC198927
Intermediate Similarity 0.8095 NPC313368
Intermediate Similarity 0.8095 NPC470810
Intermediate Similarity 0.8089 NPC472602
Intermediate Similarity 0.8086 NPC471734
Intermediate Similarity 0.8084 NPC164110
Intermediate Similarity 0.8084 NPC212967
Intermediate Similarity 0.8084 NPC96342
Intermediate Similarity 0.8084 NPC246647
Intermediate Similarity 0.8077 NPC158481
Intermediate Similarity 0.8075 NPC134621
Intermediate Similarity 0.8072 NPC82592
Intermediate Similarity 0.8072 NPC79998
Intermediate Similarity 0.8072 NPC16082
Intermediate Similarity 0.8072 NPC16286
Intermediate Similarity 0.8065 NPC475645
Intermediate Similarity 0.8063 NPC294432
Intermediate Similarity 0.8063 NPC470556
Intermediate Similarity 0.8063 NPC84266
Intermediate Similarity 0.8063 NPC472610
Intermediate Similarity 0.8063 NPC112829
Intermediate Similarity 0.8061 NPC154683
Intermediate Similarity 0.8061 NPC87708
Intermediate Similarity 0.8061 NPC40356
Intermediate Similarity 0.805 NPC53649
Intermediate Similarity 0.805 NPC37530
Intermediate Similarity 0.805 NPC475730
Intermediate Similarity 0.8049 NPC477676
Intermediate Similarity 0.8049 NPC147735
Intermediate Similarity 0.8049 NPC470568
Intermediate Similarity 0.8049 NPC469619
Intermediate Similarity 0.8049 NPC469670
Intermediate Similarity 0.8039 NPC296158
Intermediate Similarity 0.8038 NPC88269
Intermediate Similarity 0.8036 NPC470339
Intermediate Similarity 0.8035 NPC17219
Intermediate Similarity 0.8025 NPC473023
Intermediate Similarity 0.8025 NPC70380
Intermediate Similarity 0.8025 NPC194579
Intermediate Similarity 0.8025 NPC237208
Intermediate Similarity 0.8025 NPC472033
Intermediate Similarity 0.8025 NPC471735
Intermediate Similarity 0.8024 NPC197751
Intermediate Similarity 0.8024 NPC472050
Intermediate Similarity 0.8024 NPC4547
Intermediate Similarity 0.8013 NPC182496
Intermediate Similarity 0.8013 NPC180905
Intermediate Similarity 0.8012 NPC95123
Intermediate Similarity 0.8012 NPC96216
Intermediate Similarity 0.8012 NPC86373
Intermediate Similarity 0.8012 NPC184738
Intermediate Similarity 0.8012 NPC277426
Intermediate Similarity 0.8012 NPC184702
Intermediate Similarity 0.8012 NPC210425
Intermediate Similarity 0.8012 NPC474939
Intermediate Similarity 0.8012 NPC470909
Intermediate Similarity 0.8012 NPC470553
Intermediate Similarity 0.8012 NPC471695
Intermediate Similarity 0.8012 NPC471305
Intermediate Similarity 0.8012 NPC33653
Intermediate Similarity 0.8012 NPC135522
Intermediate Similarity 0.8012 NPC281477
Intermediate Similarity 0.8012 NPC280404
Intermediate Similarity 0.8012 NPC192189
Intermediate Similarity 0.8012 NPC66404
Intermediate Similarity 0.8012 NPC307895
Intermediate Similarity 0.8 NPC94076
Intermediate Similarity 0.8 NPC182255
Intermediate Similarity 0.8 NPC470569
Intermediate Similarity 0.8 NPC322112
Intermediate Similarity 0.8 NPC297985
Intermediate Similarity 0.8 NPC478148
Intermediate Similarity 0.8 NPC149526
Intermediate Similarity 0.8 NPC474417
Intermediate Similarity 0.7988 NPC65589
Intermediate Similarity 0.7988 NPC288036
Intermediate Similarity 0.7988 NPC4423
Intermediate Similarity 0.7988 NPC77325
Intermediate Similarity 0.7988 NPC158338
Intermediate Similarity 0.7988 NPC100985
Intermediate Similarity 0.7988 NPC472055
Intermediate Similarity 0.7988 NPC47623
Intermediate Similarity 0.7988 NPC97029
Intermediate Similarity 0.7988 NPC97028
Intermediate Similarity 0.7987 NPC99441
Intermediate Similarity 0.7987 NPC187690
Intermediate Similarity 0.7976 NPC158542
Intermediate Similarity 0.7975 NPC56433
Intermediate Similarity 0.7975 NPC34802
Intermediate Similarity 0.7975 NPC245584
Intermediate Similarity 0.7975 NPC191835
Intermediate Similarity 0.7975 NPC312929
Intermediate Similarity 0.7975 NPC289042
Intermediate Similarity 0.7975 NPC190648
Intermediate Similarity 0.7975 NPC472036
Intermediate Similarity 0.7975 NPC126767
Intermediate Similarity 0.7975 NPC212693
Intermediate Similarity 0.7975 NPC94248
Intermediate Similarity 0.7975 NPC118027
Intermediate Similarity 0.7965 NPC477835
Intermediate Similarity 0.7965 NPC125465
Intermediate Similarity 0.7964 NPC148938
Intermediate Similarity 0.7963 NPC312789
Intermediate Similarity 0.7963 NPC29577
Intermediate Similarity 0.7963 NPC118059
Intermediate Similarity 0.7963 NPC288910
Intermediate Similarity 0.7963 NPC133060

Drug Structure

External Identifiers

TTD   DAP000783; DNC000397
DrugBank   DB00688
ChEMBL   CHEMBL1456
IUPHAR/BPS   6831
PharmaGKB   PA450566
KEGG Drug   D00752
PubChem CID   5281078
ChEBI   8764
CAS Number  128794-94-5

Drug Properties

Molecular Weight  433.21
ALogP  1.2206
MLogP  3.11
XLogP  1.495
HDA  6
HBD  1
Rotatable Bonds  14
TPSA  94.53
RO5 Violation  0