Drug Information

Drug ID:  NPD164
Drug Name:  Dimethyl Phthalate
Molecular Formula:  C10H10O4
Canonical SMILES:  COC(=O)c1ccccc1C(=O)OC
Standard InCHI:  InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
Standard InCHIKey:  NIQCNGHVCWTJSM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD164

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 NPC31786
High Similarity 0.9796 NPC119271
High Similarity 0.9697 NPC56493
High Similarity 0.96 NPC17417
High Similarity 0.96 NPC10251
High Similarity 0.96 NPC85493
High Similarity 0.9505 NPC251854
High Similarity 0.9505 NPC174099
High Similarity 0.9505 NPC93084
High Similarity 0.9505 NPC196246
High Similarity 0.9505 NPC214067
High Similarity 0.9412 NPC305912
High Similarity 0.9412 NPC260818
High Similarity 0.9412 NPC1082
High Similarity 0.932 NPC270699
High Similarity 0.932 NPC321852
High Similarity 0.932 NPC82899
High Similarity 0.9192 NPC45613
High Similarity 0.9167 NPC130398
High Similarity 0.9143 NPC153053
High Similarity 0.91 NPC89886
High Similarity 0.9029 NPC265407
High Similarity 0.9029 NPC83628
High Similarity 0.902 NPC37622
High Similarity 0.902 NPC30594
High Similarity 0.899 NPC203925
High Similarity 0.898 NPC92754
High Similarity 0.898 NPC276775
High Similarity 0.898 NPC249912
High Similarity 0.8962 NPC307651
High Similarity 0.8922 NPC209632
High Similarity 0.8911 NPC60679
High Similarity 0.89 NPC282895
High Similarity 0.8889 NPC225060
High Similarity 0.8889 NPC35448
High Similarity 0.8889 NPC78701
High Similarity 0.8824 NPC114594
High Similarity 0.88 NPC146351
High Similarity 0.8725 NPC301943
High Similarity 0.8725 NPC474365
High Similarity 0.8713 NPC70624
High Similarity 0.8713 NPC42211
High Similarity 0.87 NPC229242
High Similarity 0.8679 NPC474157
High Similarity 0.8679 NPC210089
High Similarity 0.8667 NPC269023
High Similarity 0.8667 NPC99846
High Similarity 0.8627 NPC188895
High Similarity 0.8624 NPC149691
High Similarity 0.8614 NPC325497
High Similarity 0.8614 NPC118343
High Similarity 0.8532 NPC210092
High Similarity 0.8519 NPC272524
High Similarity 0.8505 NPC167504
Intermediate Similarity 0.8491 NPC469636
Intermediate Similarity 0.8447 NPC284477
Intermediate Similarity 0.844 NPC237366
Intermediate Similarity 0.844 NPC308744
Intermediate Similarity 0.8426 NPC79496
Intermediate Similarity 0.8381 NPC269457
Intermediate Similarity 0.8364 NPC474685
Intermediate Similarity 0.8333 NPC318107
Intermediate Similarity 0.8318 NPC474364
Intermediate Similarity 0.83 NPC261181
Intermediate Similarity 0.8265 NPC173443
Intermediate Similarity 0.8198 NPC306740
Intermediate Similarity 0.819 NPC255676
Intermediate Similarity 0.8182 NPC161611
Intermediate Similarity 0.8182 NPC128368
Intermediate Similarity 0.8165 NPC243355
Intermediate Similarity 0.8125 NPC100353
Intermediate Similarity 0.8108 NPC477411
Intermediate Similarity 0.8108 NPC196075
Intermediate Similarity 0.8108 NPC474363
Intermediate Similarity 0.8095 NPC304873
Intermediate Similarity 0.8091 NPC212415
Intermediate Similarity 0.8077 NPC217621
Intermediate Similarity 0.8061 NPC89377
Intermediate Similarity 0.8058 NPC253423
Intermediate Similarity 0.8056 NPC470391
Intermediate Similarity 0.8051 NPC246166
Intermediate Similarity 0.8036 NPC81808
Intermediate Similarity 0.8021 NPC288903
Intermediate Similarity 0.8018 NPC13784
Intermediate Similarity 0.8018 NPC474176
Intermediate Similarity 0.8 NPC476003
Intermediate Similarity 0.8 NPC62765
Intermediate Similarity 0.7965 NPC226093
Intermediate Similarity 0.7961 NPC61944
Intermediate Similarity 0.7931 NPC473243
Intermediate Similarity 0.7928 NPC158282
Intermediate Similarity 0.7928 NPC474314
Intermediate Similarity 0.7925 NPC25458
Intermediate Similarity 0.79 NPC220893
Intermediate Similarity 0.7899 NPC295664
Intermediate Similarity 0.7885 NPC270654
Intermediate Similarity 0.7881 NPC46634
Intermediate Similarity 0.7881 NPC223351
Intermediate Similarity 0.7876 NPC228936
Intermediate Similarity 0.787 NPC105899
Intermediate Similarity 0.7863 NPC50872
Intermediate Similarity 0.7857 NPC294134
Intermediate Similarity 0.7857 NPC58616
Intermediate Similarity 0.7845 NPC204784
Intermediate Similarity 0.7833 NPC121272
Intermediate Similarity 0.783 NPC473325
Intermediate Similarity 0.783 NPC112552
Intermediate Similarity 0.7826 NPC228318
Intermediate Similarity 0.7826 NPC240664
Intermediate Similarity 0.7818 NPC318327
Intermediate Similarity 0.7807 NPC135730
Intermediate Similarity 0.78 NPC304760
Intermediate Similarity 0.7769 NPC51292
Intermediate Similarity 0.7769 NPC169913
Intermediate Similarity 0.7768 NPC66208
Intermediate Similarity 0.7745 NPC119631
Intermediate Similarity 0.7736 NPC228435
Intermediate Similarity 0.7727 NPC249811
Intermediate Similarity 0.7727 NPC211439
Intermediate Similarity 0.7719 NPC474095
Intermediate Similarity 0.7686 NPC476599
Intermediate Similarity 0.7686 NPC275576
Intermediate Similarity 0.7679 NPC291799
Intermediate Similarity 0.7672 NPC469574
Intermediate Similarity 0.7667 NPC228739
Intermediate Similarity 0.7652 NPC188907
Intermediate Similarity 0.7652 NPC220540
Intermediate Similarity 0.7636 NPC1065
Intermediate Similarity 0.7615 NPC329282
Intermediate Similarity 0.7615 NPC85977
Intermediate Similarity 0.7611 NPC23332
Intermediate Similarity 0.7586 NPC128825
Intermediate Similarity 0.7586 NPC158157
Intermediate Similarity 0.7586 NPC131192
Intermediate Similarity 0.7583 NPC472703
Intermediate Similarity 0.7573 NPC110704
Intermediate Similarity 0.7565 NPC470764
Intermediate Similarity 0.7565 NPC474408
Intermediate Similarity 0.7565 NPC186933
Intermediate Similarity 0.7563 NPC144547
Intermediate Similarity 0.7561 NPC45537
Intermediate Similarity 0.7561 NPC115797
Intermediate Similarity 0.7561 NPC51448
Intermediate Similarity 0.7525 NPC322387
Intermediate Similarity 0.7523 NPC234305
Intermediate Similarity 0.7522 NPC183648
Intermediate Similarity 0.7522 NPC474057
Intermediate Similarity 0.7521 NPC472704
Intermediate Similarity 0.7521 NPC217423
Intermediate Similarity 0.7521 NPC471466
Intermediate Similarity 0.7521 NPC45104
Intermediate Similarity 0.7521 NPC182646
Intermediate Similarity 0.75 NPC281604
Intermediate Similarity 0.7479 NPC289432
Intermediate Similarity 0.7479 NPC230951
Intermediate Similarity 0.7479 NPC988
Intermediate Similarity 0.7476 NPC213156
Intermediate Similarity 0.7476 NPC240108
Intermediate Similarity 0.7475 NPC285773
Intermediate Similarity 0.7475 NPC39600
Intermediate Similarity 0.746 NPC472394
Intermediate Similarity 0.7459 NPC470163
Intermediate Similarity 0.7459 NPC470162
Intermediate Similarity 0.7458 NPC27633
Intermediate Similarity 0.7458 NPC94298
Intermediate Similarity 0.7458 NPC94637
Intermediate Similarity 0.7456 NPC54626
Intermediate Similarity 0.7455 NPC269644
Intermediate Similarity 0.744 NPC147561
Intermediate Similarity 0.744 NPC272946
Intermediate Similarity 0.744 NPC42234
Intermediate Similarity 0.7438 NPC217756
Intermediate Similarity 0.7436 NPC470860
Intermediate Similarity 0.7434 NPC234639
Intermediate Similarity 0.7434 NPC273837
Intermediate Similarity 0.7431 NPC320891
Intermediate Similarity 0.7431 NPC222390
Intermediate Similarity 0.7431 NPC244427
Intermediate Similarity 0.7422 NPC311339
Intermediate Similarity 0.7414 NPC221275
Intermediate Similarity 0.7414 NPC476357
Intermediate Similarity 0.7407 NPC98911
Intermediate Similarity 0.7407 NPC472318
Intermediate Similarity 0.74 NPC44546
Intermediate Similarity 0.7398 NPC470765
Intermediate Similarity 0.7396 NPC287790
Intermediate Similarity 0.7396 NPC3672
Intermediate Similarity 0.7395 NPC61779
Intermediate Similarity 0.7395 NPC90522
Intermediate Similarity 0.7395 NPC328459
Intermediate Similarity 0.7391 NPC17693
Intermediate Similarity 0.7383 NPC156021
Intermediate Similarity 0.7381 NPC470278
Intermediate Similarity 0.7379 NPC9822
Intermediate Similarity 0.7377 NPC51079
Intermediate Similarity 0.7377 NPC85511
Intermediate Similarity 0.7374 NPC323103
Intermediate Similarity 0.7364 NPC274443
Intermediate Similarity 0.7364 NPC329556
Intermediate Similarity 0.7364 NPC160382

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  194.06
ALogP  0.0224
MLogP  2.12
XLogP  2.334
HDA  4
HBD  0
Rotatable Bonds  6
TPSA  52.6
RO5 Violation  0