Drug Information

Drug ID:  NPD4750
Drug Name:  Cannabidiol
Molecular Formula:  C21H30O2
Canonical SMILES:  CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C
Standard InCHI:  InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
Standard InCHIKey:  QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4750

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 NPC299568
High Similarity 1.0 NPC186385
High Similarity 0.9619 NPC319803
High Similarity 0.9615 NPC224527
High Similarity 0.9604 NPC37802
High Similarity 0.951 NPC201662
High Similarity 0.951 NPC99836
High Similarity 0.951 NPC12640
High Similarity 0.9505 NPC227458
High Similarity 0.9505 NPC218879
High Similarity 0.9505 NPC244513
High Similarity 0.9434 NPC23804
High Similarity 0.9423 NPC33728
High Similarity 0.9423 NPC19808
High Similarity 0.9417 NPC232523
High Similarity 0.9417 NPC204901
High Similarity 0.9417 NPC158253
High Similarity 0.9327 NPC174981
High Similarity 0.9259 NPC84999
High Similarity 0.9259 NPC246760
High Similarity 0.9159 NPC166995
High Similarity 0.9118 NPC24407
High Similarity 0.9118 NPC166313
High Similarity 0.9118 NPC192032
High Similarity 0.9118 NPC137415
High Similarity 0.9118 NPC11280
High Similarity 0.9118 NPC147310
High Similarity 0.9118 NPC294186
High Similarity 0.9074 NPC117846
High Similarity 0.9074 NPC263753
High Similarity 0.9029 NPC53051
High Similarity 0.9029 NPC24404
High Similarity 0.9029 NPC313030
High Similarity 0.9029 NPC146798
High Similarity 0.9029 NPC85479
High Similarity 0.9029 NPC106396
High Similarity 0.9029 NPC71002
High Similarity 0.9029 NPC222522
High Similarity 0.9029 NPC242342
High Similarity 0.9029 NPC302219
High Similarity 0.9029 NPC168303
High Similarity 0.9029 NPC94351
High Similarity 0.9029 NPC249828
High Similarity 0.902 NPC10588
High Similarity 0.902 NPC166761
High Similarity 0.9009 NPC206
High Similarity 0.9009 NPC9592
High Similarity 0.9009 NPC48781
High Similarity 0.8972 NPC224870
High Similarity 0.8942 NPC241891
High Similarity 0.8942 NPC102216
High Similarity 0.8932 NPC72947
High Similarity 0.8932 NPC284011
High Similarity 0.8899 NPC261343
High Similarity 0.8889 NPC165770
High Similarity 0.8889 NPC476632
High Similarity 0.8889 NPC4493
High Similarity 0.8889 NPC225679
High Similarity 0.8857 NPC246056
High Similarity 0.8857 NPC134829
High Similarity 0.8835 NPC72729
High Similarity 0.8829 NPC115808
High Similarity 0.8824 NPC6597
High Similarity 0.8824 NPC79241
High Similarity 0.8818 NPC107240
High Similarity 0.8807 NPC473521
High Similarity 0.8807 NPC43525
High Similarity 0.8774 NPC118286
High Similarity 0.8774 NPC39097
High Similarity 0.8774 NPC248904
High Similarity 0.8774 NPC109691
High Similarity 0.8774 NPC470700
High Similarity 0.8774 NPC39664
High Similarity 0.8774 NPC302681
High Similarity 0.875 NPC100340
High Similarity 0.875 NPC143659
High Similarity 0.875 NPC470760
High Similarity 0.8725 NPC259512
High Similarity 0.8725 NPC312132
High Similarity 0.8716 NPC54373
High Similarity 0.8707 NPC96940
High Similarity 0.8692 NPC54844
High Similarity 0.8692 NPC305603
High Similarity 0.8692 NPC66834
High Similarity 0.8692 NPC61033
High Similarity 0.8684 NPC69006
High Similarity 0.8679 NPC474839
High Similarity 0.8679 NPC117115
High Similarity 0.8673 NPC190514
High Similarity 0.8673 NPC144343
High Similarity 0.8621 NPC122175
High Similarity 0.8614 NPC295295
High Similarity 0.8611 NPC61885
High Similarity 0.8611 NPC63698
High Similarity 0.8598 NPC21594
High Similarity 0.8596 NPC191866
High Similarity 0.8596 NPC184302
High Similarity 0.8585 NPC119860
High Similarity 0.8585 NPC30506
High Similarity 0.8585 NPC475225
High Similarity 0.8571 NPC477685
High Similarity 0.8571 NPC252105
High Similarity 0.8558 NPC33675
High Similarity 0.8558 NPC299762
High Similarity 0.8558 NPC80027
High Similarity 0.8545 NPC469912
High Similarity 0.8545 NPC151537
High Similarity 0.8534 NPC39029
High Similarity 0.8532 NPC202647
High Similarity 0.8519 NPC151477
High Similarity 0.8505 NPC292452
High Similarity 0.8505 NPC47284
Intermediate Similarity 0.8491 NPC471228
Intermediate Similarity 0.8491 NPC235762
Intermediate Similarity 0.8482 NPC249270
Intermediate Similarity 0.8475 NPC139774
Intermediate Similarity 0.8475 NPC174729
Intermediate Similarity 0.8468 NPC228452
Intermediate Similarity 0.8462 NPC291789
Intermediate Similarity 0.8455 NPC132720
Intermediate Similarity 0.8448 NPC218753
Intermediate Similarity 0.8448 NPC24125
Intermediate Similarity 0.844 NPC306295
Intermediate Similarity 0.8426 NPC469913
Intermediate Similarity 0.8426 NPC53740
Intermediate Similarity 0.8421 NPC277588
Intermediate Similarity 0.8421 NPC69261
Intermediate Similarity 0.8421 NPC33270
Intermediate Similarity 0.8407 NPC808
Intermediate Similarity 0.8378 NPC470770
Intermediate Similarity 0.8378 NPC266937
Intermediate Similarity 0.8349 NPC320439
Intermediate Similarity 0.8348 NPC154030
Intermediate Similarity 0.8347 NPC38604
Intermediate Similarity 0.8347 NPC211179
Intermediate Similarity 0.8333 NPC471350
Intermediate Similarity 0.8333 NPC91204
Intermediate Similarity 0.8333 NPC150624
Intermediate Similarity 0.8333 NPC231150
Intermediate Similarity 0.8333 NPC111723
Intermediate Similarity 0.8333 NPC237517
Intermediate Similarity 0.8319 NPC224342
Intermediate Similarity 0.8318 NPC168393
Intermediate Similarity 0.8305 NPC77789
Intermediate Similarity 0.8305 NPC18128
Intermediate Similarity 0.8304 NPC62867
Intermediate Similarity 0.8304 NPC250323
Intermediate Similarity 0.8304 NPC177962
Intermediate Similarity 0.8304 NPC302371
Intermediate Similarity 0.8302 NPC48730
Intermediate Similarity 0.8302 NPC248573
Intermediate Similarity 0.8302 NPC129373
Intermediate Similarity 0.8302 NPC275053
Intermediate Similarity 0.8302 NPC161571
Intermediate Similarity 0.8302 NPC174911
Intermediate Similarity 0.8302 NPC248396
Intermediate Similarity 0.8288 NPC168657
Intermediate Similarity 0.8288 NPC475018
Intermediate Similarity 0.8286 NPC152097
Intermediate Similarity 0.8279 NPC472795
Intermediate Similarity 0.8279 NPC472796
Intermediate Similarity 0.8276 NPC217174
Intermediate Similarity 0.8276 NPC137294
Intermediate Similarity 0.8276 NPC85895
Intermediate Similarity 0.8264 NPC32715
Intermediate Similarity 0.8264 NPC257947
Intermediate Similarity 0.8264 NPC66331
Intermediate Similarity 0.8264 NPC98200
Intermediate Similarity 0.8261 NPC244816
Intermediate Similarity 0.8261 NPC50521
Intermediate Similarity 0.8261 NPC221549
Intermediate Similarity 0.8261 NPC304510
Intermediate Similarity 0.8261 NPC172219
Intermediate Similarity 0.8261 NPC320864
Intermediate Similarity 0.8257 NPC155072
Intermediate Similarity 0.8257 NPC310456
Intermediate Similarity 0.8252 NPC94139
Intermediate Similarity 0.8252 NPC306884
Intermediate Similarity 0.8252 NPC162314
Intermediate Similarity 0.8252 NPC147284
Intermediate Similarity 0.8252 NPC3358
Intermediate Similarity 0.8252 NPC210497
Intermediate Similarity 0.825 NPC105031
Intermediate Similarity 0.8246 NPC53906
Intermediate Similarity 0.8246 NPC232165
Intermediate Similarity 0.8241 NPC272029
Intermediate Similarity 0.8241 NPC315936
Intermediate Similarity 0.8235 NPC192
Intermediate Similarity 0.823 NPC162113
Intermediate Similarity 0.823 NPC62546
Intermediate Similarity 0.8224 NPC80800
Intermediate Similarity 0.8224 NPC12221
Intermediate Similarity 0.822 NPC237667
Intermediate Similarity 0.8214 NPC260323
Intermediate Similarity 0.8214 NPC77772
Intermediate Similarity 0.8214 NPC176279
Intermediate Similarity 0.8208 NPC260775
Intermediate Similarity 0.8205 NPC223451
Intermediate Similarity 0.8205 NPC3239
Intermediate Similarity 0.8205 NPC282255

Drug Structure

External Identifiers

TTD   DNC000386
DrugBank   DB09061
ChEMBL   CHEMBL190461
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   644019
ChEBI   69478
CAS Number  13956-29-1

Drug Properties

Molecular Weight  314.22
ALogP  0.55
MLogP  3.55
XLogP  6.336
HDA  0
HBD  2
Rotatable Bonds  11
TPSA  40.46
RO5 Violation  1