Drug Information

Drug ID:  NPD2355
Drug Name:  
Molecular Formula:  C17H15ClO4
Canonical SMILES:  Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)[O-])(C)C
Standard InCHI:  InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)/p-1
Standard InCHIKey:  MQOBSOSZFYZQOK-UHFFFAOYSA-M
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2355

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 0.8478 NPC11173
Intermediate Similarity 0.8106 NPC470860
Intermediate Similarity 0.8045 NPC469954
Intermediate Similarity 0.7974 NPC282294
Intermediate Similarity 0.7945 NPC86087
Intermediate Similarity 0.7826 NPC27198
Intermediate Similarity 0.7817 NPC473247
Intermediate Similarity 0.7801 NPC37512
Intermediate Similarity 0.7794 NPC264976
Intermediate Similarity 0.7786 NPC165556
Intermediate Similarity 0.7785 NPC182475
Intermediate Similarity 0.7778 NPC273984
Intermediate Similarity 0.777 NPC473942
Intermediate Similarity 0.7762 NPC282230
Intermediate Similarity 0.7762 NPC183348
Intermediate Similarity 0.7746 NPC2596
Intermediate Similarity 0.7727 NPC23332
Intermediate Similarity 0.7714 NPC107846
Intermediate Similarity 0.7714 NPC89630
Intermediate Similarity 0.7708 NPC196979
Intermediate Similarity 0.7708 NPC15083
Intermediate Similarity 0.7708 NPC470976
Intermediate Similarity 0.7708 NPC470977
Intermediate Similarity 0.7703 NPC284409
Intermediate Similarity 0.7703 NPC103001
Intermediate Similarity 0.7692 NPC170546
Intermediate Similarity 0.7692 NPC473019
Intermediate Similarity 0.7692 NPC66246
Intermediate Similarity 0.7667 NPC474037
Intermediate Similarity 0.766 NPC52035
Intermediate Similarity 0.7655 NPC153453
Intermediate Similarity 0.7652 NPC183648
Intermediate Similarity 0.7639 NPC86774
Intermediate Similarity 0.7639 NPC109778
Intermediate Similarity 0.7639 NPC327457
Intermediate Similarity 0.763 NPC220540
Intermediate Similarity 0.763 NPC51345
Intermediate Similarity 0.7622 NPC2401
Intermediate Similarity 0.7616 NPC28326
Intermediate Similarity 0.7613 NPC477941
Intermediate Similarity 0.7606 NPC237868
Intermediate Similarity 0.76 NPC136095
Intermediate Similarity 0.7597 NPC129650
Intermediate Similarity 0.7591 NPC152159
Intermediate Similarity 0.7591 NPC293424
Intermediate Similarity 0.7589 NPC221798
Intermediate Similarity 0.7576 NPC259554
Intermediate Similarity 0.7571 NPC291189
Intermediate Similarity 0.7571 NPC69403
Intermediate Similarity 0.7571 NPC151237
Intermediate Similarity 0.7568 NPC64230
Intermediate Similarity 0.7568 NPC71638
Intermediate Similarity 0.7566 NPC472840
Intermediate Similarity 0.7556 NPC252004
Intermediate Similarity 0.7551 NPC311339
Intermediate Similarity 0.755 NPC184053
Intermediate Similarity 0.7548 NPC211811
Intermediate Similarity 0.7536 NPC54243
Intermediate Similarity 0.7536 NPC35744
Intermediate Similarity 0.7535 NPC2771
Intermediate Similarity 0.7534 NPC66643
Intermediate Similarity 0.7533 NPC473988
Intermediate Similarity 0.7518 NPC45104
Intermediate Similarity 0.7518 NPC141252
Intermediate Similarity 0.7518 NPC14141
Intermediate Similarity 0.7518 NPC11799
Intermediate Similarity 0.7517 NPC61546
Intermediate Similarity 0.7517 NPC72452
Intermediate Similarity 0.7516 NPC470216
Intermediate Similarity 0.7516 NPC295650
Intermediate Similarity 0.75 NPC66705
Intermediate Similarity 0.75 NPC125887
Intermediate Similarity 0.7483 NPC326065
Intermediate Similarity 0.7483 NPC475236
Intermediate Similarity 0.7467 NPC253616
Intermediate Similarity 0.7464 NPC32298
Intermediate Similarity 0.7452 NPC177839
Intermediate Similarity 0.7451 NPC473090
Intermediate Similarity 0.745 NPC104796
Intermediate Similarity 0.7447 NPC474283
Intermediate Similarity 0.7436 NPC472839
Intermediate Similarity 0.7432 NPC292998
Intermediate Similarity 0.7431 NPC121104
Intermediate Similarity 0.7431 NPC293387
Intermediate Similarity 0.7429 NPC225245
Intermediate Similarity 0.7419 NPC153758
Intermediate Similarity 0.7419 NPC229190
Intermediate Similarity 0.7415 NPC278556
Intermediate Similarity 0.7415 NPC284424
Intermediate Similarity 0.7415 NPC470859
Intermediate Similarity 0.7413 NPC470858
Intermediate Similarity 0.7413 NPC88403
Intermediate Similarity 0.741 NPC61779
Intermediate Similarity 0.7405 NPC189773
Intermediate Similarity 0.7405 NPC474170
Intermediate Similarity 0.7405 NPC98028
Intermediate Similarity 0.7405 NPC472535
Intermediate Similarity 0.7405 NPC474388
Intermediate Similarity 0.74 NPC268081
Intermediate Similarity 0.74 NPC161196
Intermediate Similarity 0.74 NPC254741
Intermediate Similarity 0.7397 NPC66905
Intermediate Similarity 0.7397 NPC30390
Intermediate Similarity 0.7394 NPC474691
Intermediate Similarity 0.7394 NPC93730
Intermediate Similarity 0.7389 NPC474648
Intermediate Similarity 0.7389 NPC164299
Intermediate Similarity 0.7386 NPC136840
Intermediate Similarity 0.7383 NPC125269
Intermediate Similarity 0.7383 NPC95485
Intermediate Similarity 0.7383 NPC89504
Intermediate Similarity 0.7383 NPC88065
Intermediate Similarity 0.7376 NPC314329
Intermediate Similarity 0.7375 NPC471746
Intermediate Similarity 0.7372 NPC117463
Intermediate Similarity 0.7372 NPC471285
Intermediate Similarity 0.7372 NPC472918
Intermediate Similarity 0.7372 NPC294972
Intermediate Similarity 0.7372 NPC299923
Intermediate Similarity 0.7368 NPC11566
Intermediate Similarity 0.7368 NPC473209
Intermediate Similarity 0.7365 NPC287533
Intermediate Similarity 0.7365 NPC473655
Intermediate Similarity 0.7365 NPC101294
Intermediate Similarity 0.7365 NPC66158
Intermediate Similarity 0.7361 NPC154275
Intermediate Similarity 0.7361 NPC177925
Intermediate Similarity 0.7357 NPC230951
Intermediate Similarity 0.7357 NPC246214
Intermediate Similarity 0.7355 NPC71210
Intermediate Similarity 0.7355 NPC469953
Intermediate Similarity 0.7355 NPC291153
Intermediate Similarity 0.7355 NPC171656
Intermediate Similarity 0.7351 NPC265181
Intermediate Similarity 0.7351 NPC254841
Intermediate Similarity 0.7351 NPC157855
Intermediate Similarity 0.7348 NPC1065
Intermediate Similarity 0.7347 NPC125153
Intermediate Similarity 0.7347 NPC104854
Intermediate Similarity 0.7347 NPC301717
Intermediate Similarity 0.7346 NPC15764
Intermediate Similarity 0.7343 NPC30216
Intermediate Similarity 0.7342 NPC267117
Intermediate Similarity 0.7338 NPC311091
Intermediate Similarity 0.7338 NPC471520
Intermediate Similarity 0.7338 NPC471033
Intermediate Similarity 0.7333 NPC233238
Intermediate Similarity 0.7333 NPC163029
Intermediate Similarity 0.7333 NPC57879
Intermediate Similarity 0.7333 NPC77955
Intermediate Similarity 0.7333 NPC99854
Intermediate Similarity 0.7329 NPC211120
Intermediate Similarity 0.7329 NPC238309
Intermediate Similarity 0.7325 NPC183236
Intermediate Similarity 0.7324 NPC90577
Intermediate Similarity 0.732 NPC230285
Intermediate Similarity 0.732 NPC146679
Intermediate Similarity 0.732 NPC184536
Intermediate Similarity 0.732 NPC281207
Intermediate Similarity 0.732 NPC269652
Intermediate Similarity 0.732 NPC235239
Intermediate Similarity 0.732 NPC103342
Intermediate Similarity 0.732 NPC103904
Intermediate Similarity 0.732 NPC171094
Intermediate Similarity 0.732 NPC59951
Intermediate Similarity 0.7319 NPC19290
Intermediate Similarity 0.7308 NPC153620
Intermediate Similarity 0.7308 NPC310259
Intermediate Similarity 0.7308 NPC24257
Intermediate Similarity 0.7303 NPC124269
Intermediate Similarity 0.7303 NPC17848
Intermediate Similarity 0.7303 NPC36414
Intermediate Similarity 0.7303 NPC276905
Intermediate Similarity 0.7301 NPC139876
Intermediate Similarity 0.7297 NPC112192
Intermediate Similarity 0.7297 NPC164236
Intermediate Similarity 0.7297 NPC189106
Intermediate Similarity 0.7297 NPC128348
Intermediate Similarity 0.7297 NPC66384
Intermediate Similarity 0.7297 NPC309717
Intermediate Similarity 0.7296 NPC471229
Intermediate Similarity 0.7292 NPC473626
Intermediate Similarity 0.729 NPC472836
Intermediate Similarity 0.7285 NPC186647
Intermediate Similarity 0.7279 NPC2989
Intermediate Similarity 0.7279 NPC247779
Intermediate Similarity 0.7278 NPC277032
Intermediate Similarity 0.7273 NPC205006
Intermediate Similarity 0.7273 NPC64908
Intermediate Similarity 0.7273 NPC90582
Intermediate Similarity 0.7273 NPC310128
Intermediate Similarity 0.7273 NPC27220
Intermediate Similarity 0.7273 NPC24075
Intermediate Similarity 0.7273 NPC156590
Intermediate Similarity 0.7273 NPC103362
Intermediate Similarity 0.7273 NPC147688
Intermediate Similarity 0.7273 NPC118840
Intermediate Similarity 0.7273 NPC262094
Intermediate Similarity 0.7267 NPC3273
Intermediate Similarity 0.7267 NPC34725

Drug Structure

External Identifiers

TTD   DNCL002936
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   11350701
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  317.06
ALogP  0.0029
MLogP  2.78
XLogP  3.6
HDA  3
HBD  0
Rotatable Bonds  9
TPSA  66.43
RO5 Violation  0