Drug Information

Drug ID:  NPD1111
Drug Name:  Dropropizine
Molecular Formula:  C13H20N2O2
Canonical SMILES:  OCC(CN1CCN(CC1)c1ccccc1)O
Standard InCHI:  InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2
Standard InCHIKey:  PTVWPYVOOKLBCG-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1111

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 0.708 NPC291610
Remote Similarity 0.6984 NPC328683
Remote Similarity 0.6984 NPC283130
Remote Similarity 0.6923 NPC20322
Remote Similarity 0.6792 NPC229477
Remote Similarity 0.6788 NPC470301
Remote Similarity 0.6762 NPC134825
Remote Similarity 0.6762 NPC15839
Remote Similarity 0.6752 NPC313362
Remote Similarity 0.6748 NPC101139
Remote Similarity 0.6731 NPC307456
Remote Similarity 0.6724 NPC474430
Remote Similarity 0.6696 NPC326792
Remote Similarity 0.6609 NPC75496
Remote Similarity 0.6607 NPC476483
Remote Similarity 0.6531 NPC94167
Remote Similarity 0.6531 NPC172937
Remote Similarity 0.6508 NPC31651
Remote Similarity 0.6467 NPC85651
Remote Similarity 0.6391 NPC476950
Remote Similarity 0.6364 NPC470824
Remote Similarity 0.6357 NPC316582
Remote Similarity 0.6345 NPC321617
Remote Similarity 0.6312 NPC22082
Remote Similarity 0.6312 NPC186284
Remote Similarity 0.6308 NPC475915
Remote Similarity 0.6306 NPC297532
Remote Similarity 0.6234 NPC300631
Remote Similarity 0.6232 NPC184437
Remote Similarity 0.6226 NPC133261
Remote Similarity 0.6207 NPC264589
Remote Similarity 0.62 NPC315257
Remote Similarity 0.6198 NPC313810
Remote Similarity 0.6195 NPC92689
Remote Similarity 0.6195 NPC78154
Remote Similarity 0.619 NPC296163
Remote Similarity 0.619 NPC57051
Remote Similarity 0.6176 NPC226662
Remote Similarity 0.6154 NPC177684
Remote Similarity 0.6154 NPC226143
Remote Similarity 0.6154 NPC301874
Remote Similarity 0.6154 NPC291962
Remote Similarity 0.6124 NPC192209
Remote Similarity 0.6116 NPC328877
Remote Similarity 0.6115 NPC313352
Remote Similarity 0.6107 NPC258531
Remote Similarity 0.6107 NPC112373
Remote Similarity 0.6107 NPC161956
Remote Similarity 0.6104 NPC328270
Remote Similarity 0.6096 NPC472100
Remote Similarity 0.6096 NPC324445
Remote Similarity 0.6094 NPC218710
Remote Similarity 0.6087 NPC476687
Remote Similarity 0.6087 NPC53044
Remote Similarity 0.6087 NPC476685
Remote Similarity 0.6087 NPC476689
Remote Similarity 0.6078 NPC472102
Remote Similarity 0.6078 NPC309531
Remote Similarity 0.6078 NPC271732
Remote Similarity 0.6077 NPC228515
Remote Similarity 0.6074 NPC250476
Remote Similarity 0.6069 NPC472103
Remote Similarity 0.6058 NPC314431
Remote Similarity 0.6058 NPC66775
Remote Similarity 0.6054 NPC212799
Remote Similarity 0.6048 NPC302790
Remote Similarity 0.6043 NPC256893
Remote Similarity 0.604 NPC475763
Remote Similarity 0.6039 NPC472117
Remote Similarity 0.6039 NPC472101
Remote Similarity 0.6039 NPC472120
Remote Similarity 0.6026 NPC472114
Remote Similarity 0.6026 NPC472115
Remote Similarity 0.6 NPC214200
Remote Similarity 0.6 NPC313449
Remote Similarity 0.6 NPC228400
Remote Similarity 0.6 NPC472244
Remote Similarity 0.6 NPC65855
Remote Similarity 0.6 NPC470343
Remote Similarity 0.6 NPC292758
Remote Similarity 0.5985 NPC326232
Remote Similarity 0.5985 NPC150863
Remote Similarity 0.5974 NPC320064
Remote Similarity 0.5974 NPC474058
Remote Similarity 0.5969 NPC143156
Remote Similarity 0.5966 NPC317642
Remote Similarity 0.5962 NPC472106
Remote Similarity 0.5959 NPC311330
Remote Similarity 0.5959 NPC314186
Remote Similarity 0.5949 NPC472118
Remote Similarity 0.5942 NPC280807
Remote Similarity 0.5942 NPC472245
Remote Similarity 0.5942 NPC473417
Remote Similarity 0.594 NPC257490
Remote Similarity 0.5938 NPC187036
Remote Similarity 0.5935 NPC71079
Remote Similarity 0.5933 NPC314223
Remote Similarity 0.5926 NPC475094
Remote Similarity 0.5923 NPC313673
Remote Similarity 0.592 NPC164802
Remote Similarity 0.5912 NPC478079
Remote Similarity 0.5909 NPC471122
Remote Similarity 0.5903 NPC243162
Remote Similarity 0.5901 NPC24594
Remote Similarity 0.5901 NPC476441
Remote Similarity 0.5901 NPC472122
Remote Similarity 0.5901 NPC129624
Remote Similarity 0.5897 NPC474217
Remote Similarity 0.5896 NPC39818
Remote Similarity 0.5874 NPC287358
Remote Similarity 0.5874 NPC328029
Remote Similarity 0.5873 NPC255721
Remote Similarity 0.587 NPC101372
Remote Similarity 0.587 NPC259098
Remote Similarity 0.587 NPC197680
Remote Similarity 0.5867 NPC318086
Remote Similarity 0.5865 NPC302169
Remote Similarity 0.5864 NPC326575
Remote Similarity 0.586 NPC85918
Remote Similarity 0.5856 NPC104070
Remote Similarity 0.5852 NPC474082
Remote Similarity 0.5852 NPC175726
Remote Similarity 0.585 NPC470404
Remote Similarity 0.585 NPC470403
Remote Similarity 0.585 NPC470394
Remote Similarity 0.5846 NPC288232
Remote Similarity 0.5844 NPC138018
Remote Similarity 0.5844 NPC104345
Remote Similarity 0.584 NPC76327
Remote Similarity 0.5839 NPC252794
Remote Similarity 0.5839 NPC322433
Remote Similarity 0.5833 NPC469560
Remote Similarity 0.5833 NPC253667
Remote Similarity 0.5833 NPC35510
Remote Similarity 0.5828 NPC154602
Remote Similarity 0.5827 NPC9336
Remote Similarity 0.5823 NPC278366
Remote Similarity 0.5823 NPC127730
Remote Similarity 0.5821 NPC314192
Remote Similarity 0.5818 NPC477159
Remote Similarity 0.5804 NPC471123
Remote Similarity 0.5802 NPC125416
Remote Similarity 0.5796 NPC113056
Remote Similarity 0.5796 NPC138293
Remote Similarity 0.5796 NPC313757
Remote Similarity 0.5794 NPC271642
Remote Similarity 0.5793 NPC130251
Remote Similarity 0.5793 NPC472105
Remote Similarity 0.5793 NPC315051
Remote Similarity 0.5793 NPC187827
Remote Similarity 0.5786 NPC231382
Remote Similarity 0.5785 NPC213774
Remote Similarity 0.5783 NPC470003
Remote Similarity 0.5782 NPC168750
Remote Similarity 0.5779 NPC29285
Remote Similarity 0.5779 NPC477156
Remote Similarity 0.5779 NPC477157
Remote Similarity 0.5778 NPC268534
Remote Similarity 0.5775 NPC316104
Remote Similarity 0.5775 NPC162417
Remote Similarity 0.5772 NPC470395
Remote Similarity 0.5766 NPC474847
Remote Similarity 0.5766 NPC325013
Remote Similarity 0.5759 NPC471124
Remote Similarity 0.5755 NPC469666
Remote Similarity 0.5755 NPC471313
Remote Similarity 0.5755 NPC471311
Remote Similarity 0.5753 NPC471164
Remote Similarity 0.5753 NPC43477
Remote Similarity 0.5752 NPC471132
Remote Similarity 0.5752 NPC478076
Remote Similarity 0.5746 NPC279385
Remote Similarity 0.5746 NPC179605
Remote Similarity 0.5733 NPC254798
Remote Similarity 0.5726 NPC194390
Remote Similarity 0.5726 NPC224610
Remote Similarity 0.5726 NPC113326
Remote Similarity 0.5726 NPC470926
Remote Similarity 0.5726 NPC88267
Remote Similarity 0.5724 NPC66936
Remote Similarity 0.5723 NPC182131
Remote Similarity 0.5723 NPC472110
Remote Similarity 0.5723 NPC472109
Remote Similarity 0.5723 NPC139291
Remote Similarity 0.5723 NPC472108
Remote Similarity 0.5714 NPC194562
Remote Similarity 0.5714 NPC264580
Remote Similarity 0.5714 NPC434
Remote Similarity 0.5714 NPC79618
Remote Similarity 0.5714 NPC158129
Remote Similarity 0.5706 NPC203754
Remote Similarity 0.5706 NPC150048
Remote Similarity 0.5705 NPC84508
Remote Similarity 0.5704 NPC103292
Remote Similarity 0.5701 NPC98976
Remote Similarity 0.5697 NPC15840
Remote Similarity 0.5694 NPC325599
Remote Similarity 0.569 NPC315403
Remote Similarity 0.5687 NPC317430
Remote Similarity 0.5685 NPC472243

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  236.15
ALogP  -0.875
MLogP  2.45
XLogP  0.868
HDA  4
HBD  2
Rotatable Bonds  6
TPSA  46.94
RO5 Violation  0