Drug Information

Drug ID:  NPD1616
Drug Name:  F-2833
Molecular Formula:  C15H15ClO
Canonical SMILES:  Clc1ccccc1c1ccc(cc1)C(O)(C)C
Standard InCHI:  InChI=1S/C15H15ClO/c1-15(2,17)12-9-7-11(8-10-12)13-5-3-4-6-14(13)16/h3-10,17H,1-2H3
Standard InCHIKey:  VILCOLBQTAITPH-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1616

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
Intermediate Similarity 0.8387 NPC168855
Intermediate Similarity 0.8298 NPC474354
Intermediate Similarity 0.8211 NPC474211
Intermediate Similarity 0.8065 NPC133050
Intermediate Similarity 0.8037 NPC146096
Intermediate Similarity 0.7959 NPC1793
Intermediate Similarity 0.79 NPC128645
Intermediate Similarity 0.7838 NPC91452
Intermediate Similarity 0.7835 NPC93843
Intermediate Similarity 0.7699 NPC244403
Intermediate Similarity 0.7629 NPC95429
Intermediate Similarity 0.76 NPC199567
Intermediate Similarity 0.7579 NPC328178
Intermediate Similarity 0.75 NPC238696
Intermediate Similarity 0.7476 NPC271440
Intermediate Similarity 0.7451 NPC79917
Intermediate Similarity 0.7449 NPC304538
Intermediate Similarity 0.7423 NPC329319
Intermediate Similarity 0.7423 NPC103326
Intermediate Similarity 0.7423 NPC99394
Intermediate Similarity 0.7423 NPC87299
Intermediate Similarity 0.7419 NPC189371
Intermediate Similarity 0.7407 NPC19856
Intermediate Similarity 0.7358 NPC225464
Intermediate Similarity 0.7347 NPC172984
Intermediate Similarity 0.7333 NPC21959
Intermediate Similarity 0.732 NPC117180
Intermediate Similarity 0.73 NPC243166
Intermediate Similarity 0.729 NPC92730
Intermediate Similarity 0.7273 NPC105899
Intermediate Similarity 0.7264 NPC259512
Intermediate Similarity 0.7264 NPC312132
Intermediate Similarity 0.725 NPC42644
Intermediate Similarity 0.7238 NPC76938
Intermediate Similarity 0.7222 NPC72729
Intermediate Similarity 0.7212 NPC45040
Intermediate Similarity 0.7212 NPC304541
Intermediate Similarity 0.7196 NPC32674
Intermediate Similarity 0.7196 NPC156313
Intermediate Similarity 0.7196 NPC79241
Intermediate Similarity 0.7196 NPC6597
Intermediate Similarity 0.717 NPC274678
Intermediate Similarity 0.717 NPC26244
Intermediate Similarity 0.717 NPC32714
Intermediate Similarity 0.7168 NPC58865
Intermediate Similarity 0.7143 NPC27252
Intermediate Similarity 0.7143 NPC472980
Intermediate Similarity 0.7143 NPC55903
Intermediate Similarity 0.7143 NPC472979
Intermediate Similarity 0.713 NPC33675
Intermediate Similarity 0.713 NPC299762
Intermediate Similarity 0.7117 NPC138942
Intermediate Similarity 0.7117 NPC243601
Intermediate Similarity 0.7103 NPC292730
Intermediate Similarity 0.7103 NPC216520
Intermediate Similarity 0.7103 NPC132271
Intermediate Similarity 0.7103 NPC473388
Intermediate Similarity 0.7103 NPC82664
Intermediate Similarity 0.7097 NPC8058
Intermediate Similarity 0.7091 NPC168829
Intermediate Similarity 0.7087 NPC27974
Intermediate Similarity 0.7083 NPC66655
Intermediate Similarity 0.7075 NPC152415
Intermediate Similarity 0.7075 NPC316301
Intermediate Similarity 0.7075 NPC128062
Intermediate Similarity 0.7075 NPC151715
Intermediate Similarity 0.7075 NPC27323
Intermediate Similarity 0.7071 NPC283012
Intermediate Similarity 0.7071 NPC475199
Intermediate Similarity 0.7048 NPC231150
Intermediate Similarity 0.7048 NPC155908
Intermediate Similarity 0.7048 NPC306074
Intermediate Similarity 0.704 NPC26576
Intermediate Similarity 0.703 NPC99482
Intermediate Similarity 0.7027 NPC288411
Intermediate Similarity 0.7027 NPC254965
Intermediate Similarity 0.7027 NPC472221
Intermediate Similarity 0.7027 NPC327811
Intermediate Similarity 0.7027 NPC472222
Intermediate Similarity 0.7027 NPC324786
Intermediate Similarity 0.7027 NPC315794
Intermediate Similarity 0.7019 NPC242240
Intermediate Similarity 0.7019 NPC318325
Intermediate Similarity 0.7019 NPC123273
Intermediate Similarity 0.7019 NPC258219
Intermediate Similarity 0.7018 NPC314187
Intermediate Similarity 0.701 NPC224544
Intermediate Similarity 0.7 NPC60373
Intermediate Similarity 0.7 NPC154905
Intermediate Similarity 0.7 NPC51015
Intermediate Similarity 0.7 NPC12221
Intermediate Similarity 0.7 NPC252105
Remote Similarity 0.699 NPC23167
Remote Similarity 0.699 NPC307235
Remote Similarity 0.699 NPC407
Remote Similarity 0.6983 NPC46940
Remote Similarity 0.6981 NPC210497
Remote Similarity 0.6981 NPC162314
Remote Similarity 0.6981 NPC306884
Remote Similarity 0.6981 NPC94139
Remote Similarity 0.6981 NPC3358
Remote Similarity 0.6981 NPC147284
Remote Similarity 0.6964 NPC471133
Remote Similarity 0.6964 NPC117115
Remote Similarity 0.6957 NPC296683
Remote Similarity 0.6957 NPC133308
Remote Similarity 0.6957 NPC95126
Remote Similarity 0.6957 NPC475002
Remote Similarity 0.6952 NPC192
Remote Similarity 0.6937 NPC168393
Remote Similarity 0.6937 NPC233827
Remote Similarity 0.693 NPC64642
Remote Similarity 0.693 NPC174981
Remote Similarity 0.693 NPC149455
Remote Similarity 0.693 NPC472982
Remote Similarity 0.693 NPC11554
Remote Similarity 0.693 NPC318327
Remote Similarity 0.6929 NPC246991
Remote Similarity 0.6923 NPC113460
Remote Similarity 0.6923 NPC25493
Remote Similarity 0.6923 NPC715
Remote Similarity 0.6916 NPC289769
Remote Similarity 0.6916 NPC245187
Remote Similarity 0.6909 NPC174911
Remote Similarity 0.6909 NPC289117
Remote Similarity 0.6909 NPC294741
Remote Similarity 0.6909 NPC469481
Remote Similarity 0.6903 NPC53740
Remote Similarity 0.6903 NPC54765
Remote Similarity 0.6903 NPC271274
Remote Similarity 0.6903 NPC310456
Remote Similarity 0.69 NPC106313
Remote Similarity 0.6897 NPC224527
Remote Similarity 0.6897 NPC151537
Remote Similarity 0.6897 NPC95716
Remote Similarity 0.6897 NPC111108
Remote Similarity 0.6897 NPC66208
Remote Similarity 0.6893 NPC197783
Remote Similarity 0.6893 NPC155393
Remote Similarity 0.6887 NPC314690
Remote Similarity 0.6881 NPC77492
Remote Similarity 0.6875 NPC475225
Remote Similarity 0.6875 NPC323810
Remote Similarity 0.687 NPC19808
Remote Similarity 0.687 NPC33728
Remote Similarity 0.6869 NPC184030
Remote Similarity 0.6869 NPC164449
Remote Similarity 0.6864 NPC249270
Remote Similarity 0.6864 NPC195922
Remote Similarity 0.6857 NPC177420
Remote Similarity 0.6857 NPC280347
Remote Similarity 0.6852 NPC222146
Remote Similarity 0.6852 NPC8392
Remote Similarity 0.6847 NPC100340
Remote Similarity 0.6847 NPC304873
Remote Similarity 0.6847 NPC143659
Remote Similarity 0.6847 NPC25458
Remote Similarity 0.6842 NPC66834
Remote Similarity 0.6842 NPC151477
Remote Similarity 0.6829 NPC14287
Remote Similarity 0.6818 NPC216468
Remote Similarity 0.6818 NPC51333
Remote Similarity 0.6818 NPC78119
Remote Similarity 0.6818 NPC122005
Remote Similarity 0.6818 NPC132078
Remote Similarity 0.6818 NPC217621
Remote Similarity 0.6818 NPC252821
Remote Similarity 0.6814 NPC239291
Remote Similarity 0.6814 NPC47284
Remote Similarity 0.681 NPC474057
Remote Similarity 0.68 NPC242628
Remote Similarity 0.68 NPC165212
Remote Similarity 0.6796 NPC248817
Remote Similarity 0.6796 NPC286904
Remote Similarity 0.6796 NPC175313
Remote Similarity 0.6796 NPC150837
Remote Similarity 0.6792 NPC55561
Remote Similarity 0.6786 NPC471228
Remote Similarity 0.6786 NPC255676
Remote Similarity 0.6786 NPC291426
Remote Similarity 0.6786 NPC235762
Remote Similarity 0.6783 NPC95344
Remote Similarity 0.6783 NPC262365
Remote Similarity 0.6783 NPC306295
Remote Similarity 0.678 NPC321589
Remote Similarity 0.678 NPC322239
Remote Similarity 0.6774 NPC122175
Remote Similarity 0.6771 NPC108218
Remote Similarity 0.6769 NPC139335
Remote Similarity 0.6762 NPC19680
Remote Similarity 0.6757 NPC213730
Remote Similarity 0.6757 NPC225506
Remote Similarity 0.6754 NPC67250
Remote Similarity 0.6754 NPC21594
Remote Similarity 0.6754 NPC248904
Remote Similarity 0.6752 NPC471188
Remote Similarity 0.6741 NPC131379
Remote Similarity 0.6733 NPC121478
Remote Similarity 0.6733 NPC73637
Remote Similarity 0.6731 NPC198747

Drug Structure

External Identifiers

TTD   DIB001815
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  246.08
ALogP  0.8781
MLogP  2.89
XLogP  5.346
HDA  1
HBD  1
Rotatable Bonds  6
TPSA  20.23
RO5 Violation  1