Drug Information

Drug ID:  NPD9207
Drug Name:  Risedronic Acid
Molecular Formula:  C7H11NO7P2
Canonical SMILES:  OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O
Standard InCHI:  InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
Standard InCHIKey:  IIDJRNMFWXDHID-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD9207

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 NPC315320
High Similarity 0.8507 NPC322488
Intermediate Similarity 0.8296 NPC324611
Intermediate Similarity 0.8271 NPC471311
Intermediate Similarity 0.8271 NPC471313
Intermediate Similarity 0.8271 NPC212125
Intermediate Similarity 0.8226 NPC27802
Intermediate Similarity 0.8134 NPC165370
Intermediate Similarity 0.8134 NPC306397
Intermediate Similarity 0.7984 NPC76540
Intermediate Similarity 0.7929 NPC29702
Intermediate Similarity 0.7786 NPC297486
Intermediate Similarity 0.7786 NPC471402
Intermediate Similarity 0.7786 NPC240136
Intermediate Similarity 0.7746 NPC114310
Intermediate Similarity 0.7746 NPC471312
Intermediate Similarity 0.7727 NPC91958
Intermediate Similarity 0.7704 NPC290094
Intermediate Similarity 0.7674 NPC235843
Intermediate Similarity 0.7643 NPC256893
Intermediate Similarity 0.7642 NPC83987
Intermediate Similarity 0.7594 NPC143603
Intermediate Similarity 0.7591 NPC151489
Intermediate Similarity 0.7556 NPC265605
Intermediate Similarity 0.7556 NPC182570
Intermediate Similarity 0.7556 NPC48564
Intermediate Similarity 0.7552 NPC328029
Intermediate Similarity 0.7551 NPC471323
Intermediate Similarity 0.7536 NPC169625
Intermediate Similarity 0.7536 NPC202957
Intermediate Similarity 0.7516 NPC319456
Intermediate Similarity 0.7429 NPC89490
Intermediate Similarity 0.7422 NPC231655
Intermediate Similarity 0.7394 NPC471322
Intermediate Similarity 0.7391 NPC27740
Intermediate Similarity 0.7391 NPC476322
Intermediate Similarity 0.7383 NPC167400
Intermediate Similarity 0.7376 NPC329896
Intermediate Similarity 0.7376 NPC475090
Intermediate Similarity 0.7376 NPC475105
Intermediate Similarity 0.7338 NPC146373
Intermediate Similarity 0.7338 NPC166424
Intermediate Similarity 0.7338 NPC245244
Intermediate Similarity 0.7325 NPC211187
Intermediate Similarity 0.7319 NPC46358
Intermediate Similarity 0.729 NPC138018
Intermediate Similarity 0.7273 NPC174421
Intermediate Similarity 0.7261 NPC71079
Intermediate Similarity 0.7234 NPC278451
Intermediate Similarity 0.7215 NPC473057
Intermediate Similarity 0.7215 NPC474217
Intermediate Similarity 0.7183 NPC471589
Intermediate Similarity 0.717 NPC85918
Intermediate Similarity 0.717 NPC471178
Intermediate Similarity 0.7152 NPC59779
Intermediate Similarity 0.7152 NPC471177
Intermediate Similarity 0.7152 NPC124542
Intermediate Similarity 0.7143 NPC65408
Intermediate Similarity 0.7143 NPC256828
Intermediate Similarity 0.7134 NPC230869
Intermediate Similarity 0.7133 NPC476131
Intermediate Similarity 0.7125 NPC41717
Intermediate Similarity 0.7125 NPC278366
Intermediate Similarity 0.7125 NPC127730
Intermediate Similarity 0.7122 NPC329825
Intermediate Similarity 0.7114 NPC318935
Intermediate Similarity 0.7107 NPC97367
Intermediate Similarity 0.7105 NPC220523
Intermediate Similarity 0.7097 NPC312860
Intermediate Similarity 0.7089 NPC131718
Intermediate Similarity 0.7086 NPC159630
Intermediate Similarity 0.7086 NPC230085
Intermediate Similarity 0.7083 NPC282398
Intermediate Similarity 0.7083 NPC69914
Intermediate Similarity 0.707 NPC129721
Intermediate Similarity 0.7051 NPC263455
Intermediate Similarity 0.7034 NPC101165
Intermediate Similarity 0.7019 NPC108469
Intermediate Similarity 0.7 NPC102423
Remote Similarity 0.6994 NPC273532
Remote Similarity 0.6993 NPC302159
Remote Similarity 0.6987 NPC469760
Remote Similarity 0.6987 NPC259644
Remote Similarity 0.6987 NPC73952
Remote Similarity 0.6987 NPC469765
Remote Similarity 0.6987 NPC25008
Remote Similarity 0.6987 NPC469763
Remote Similarity 0.6987 NPC469786
Remote Similarity 0.6986 NPC330326
Remote Similarity 0.6963 NPC473901
Remote Similarity 0.6962 NPC469762
Remote Similarity 0.6957 NPC477975
Remote Similarity 0.6948 NPC112741
Remote Similarity 0.6943 NPC75540
Remote Similarity 0.6943 NPC63562
Remote Similarity 0.6943 NPC80597
Remote Similarity 0.6943 NPC70922
Remote Similarity 0.6943 NPC211572
Remote Similarity 0.6943 NPC212376
Remote Similarity 0.6928 NPC314372
Remote Similarity 0.6918 NPC113812
Remote Similarity 0.6914 NPC98187
Remote Similarity 0.6908 NPC190296
Remote Similarity 0.6899 NPC469785
Remote Similarity 0.6894 NPC311276
Remote Similarity 0.6879 NPC107287
Remote Similarity 0.6875 NPC279918
Remote Similarity 0.6867 NPC150048
Remote Similarity 0.6867 NPC203754
Remote Similarity 0.6861 NPC84268
Remote Similarity 0.6855 NPC212742
Remote Similarity 0.6855 NPC269919
Remote Similarity 0.6855 NPC132680
Remote Similarity 0.6845 NPC471997
Remote Similarity 0.6839 NPC477974
Remote Similarity 0.6832 NPC282231
Remote Similarity 0.6829 NPC314940
Remote Similarity 0.6829 NPC473764
Remote Similarity 0.6818 NPC159856
Remote Similarity 0.681 NPC160105
Remote Similarity 0.68 NPC314102
Remote Similarity 0.68 NPC251722
Remote Similarity 0.679 NPC40779
Remote Similarity 0.679 NPC78375
Remote Similarity 0.679 NPC476446
Remote Similarity 0.679 NPC469813
Remote Similarity 0.6786 NPC11863
Remote Similarity 0.677 NPC63338
Remote Similarity 0.677 NPC324203
Remote Similarity 0.677 NPC322976
Remote Similarity 0.677 NPC25899
Remote Similarity 0.6765 NPC322043
Remote Similarity 0.6761 NPC56856
Remote Similarity 0.6755 NPC169433
Remote Similarity 0.6747 NPC313791
Remote Similarity 0.6747 NPC477976
Remote Similarity 0.6731 NPC105811
Remote Similarity 0.673 NPC209362
Remote Similarity 0.6728 NPC48192
Remote Similarity 0.6726 NPC111275
Remote Similarity 0.6712 NPC313823
Remote Similarity 0.6711 NPC32002
Remote Similarity 0.6711 NPC316811
Remote Similarity 0.6711 NPC315348
Remote Similarity 0.671 NPC467188
Remote Similarity 0.6707 NPC474561
Remote Similarity 0.6707 NPC54988
Remote Similarity 0.6707 NPC49954
Remote Similarity 0.669 NPC135488
Remote Similarity 0.6689 NPC82295
Remote Similarity 0.6687 NPC252590
Remote Similarity 0.6687 NPC162268
Remote Similarity 0.6687 NPC263439
Remote Similarity 0.6686 NPC62510
Remote Similarity 0.6667 NPC78020
Remote Similarity 0.6667 NPC63751
Remote Similarity 0.6667 NPC327373
Remote Similarity 0.6667 NPC213774
Remote Similarity 0.6667 NPC325093
Remote Similarity 0.6667 NPC161292
Remote Similarity 0.6647 NPC317010
Remote Similarity 0.6647 NPC314603
Remote Similarity 0.6646 NPC24678
Remote Similarity 0.6646 NPC105818
Remote Similarity 0.6646 NPC213914
Remote Similarity 0.6628 NPC207851
Remote Similarity 0.6624 NPC470111
Remote Similarity 0.6624 NPC471957
Remote Similarity 0.6623 NPC476454
Remote Similarity 0.6623 NPC29886
Remote Similarity 0.6623 NPC261195
Remote Similarity 0.6623 NPC60553
Remote Similarity 0.6623 NPC96102
Remote Similarity 0.661 NPC106937
Remote Similarity 0.6609 NPC36498
Remote Similarity 0.6609 NPC325775
Remote Similarity 0.6608 NPC71037
Remote Similarity 0.6607 NPC469938
Remote Similarity 0.6604 NPC70406
Remote Similarity 0.659 NPC318020
Remote Similarity 0.6588 NPC248462
Remote Similarity 0.6585 NPC194640
Remote Similarity 0.6582 NPC288445
Remote Similarity 0.6579 NPC150259
Remote Similarity 0.6579 NPC105127
Remote Similarity 0.6579 NPC84911
Remote Similarity 0.6571 NPC148140
Remote Similarity 0.657 NPC48938
Remote Similarity 0.6566 NPC201700
Remote Similarity 0.6529 NPC184964
Remote Similarity 0.6525 NPC81561
Remote Similarity 0.6514 NPC328798
Remote Similarity 0.6509 NPC149155
Remote Similarity 0.6509 NPC139763
Remote Similarity 0.6509 NPC110500
Remote Similarity 0.6509 NPC203468
Remote Similarity 0.65 NPC216713
Remote Similarity 0.65 NPC153769
Remote Similarity 0.6497 NPC86288
Remote Similarity 0.6497 NPC114974

Drug Structure

External Identifiers

TTD   DAP000658
DrugBank   DB00884
ChEMBL   CHEMBL923
IUPHAR/BPS   3176
PharmaGKB   PA451255
KEGG Drug  
PubChem CID   5245
ChEBI   8869
CAS Number  105462-24-6

Drug Properties

Molecular Weight  283.00
ALogP  -0.8873
MLogP  1.13
XLogP  -3.001
HDA  8
HBD  5
Rotatable Bonds  9
TPSA  167.8
RO5 Violation  0