Drug Information

Drug ID:  NPD555
Drug Name:  Etilevodopa
Molecular Formula:  C11H15NO4
Canonical SMILES:  CCOC(=O)[C@H](Cc1ccc(c(c1)O)O)N
Standard InCHI:  InChI=1S/C11H15NO4/c1-2-16-11(15)8(12)5-7-3-4-9(13)10(14)6-7/h3-4,6,8,13-14H,2,5,12H2,1H3/t8-/m0/s1
Standard InCHIKey:  NULMGOSOSZBEQL-QMMMGPOBSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD555

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 0.9841 NPC88667
High Similarity 0.9524 NPC161593
High Similarity 0.9524 NPC16031
High Similarity 0.9524 NPC145888
High Similarity 0.9141 NPC321561
High Similarity 0.9111 NPC66518
High Similarity 0.8571 NPC281686
High Similarity 0.8571 NPC106551
High Similarity 0.8571 NPC188867
Intermediate Similarity 0.8467 NPC6913
Intermediate Similarity 0.8372 NPC239697
Intermediate Similarity 0.8333 NPC148969
Intermediate Similarity 0.8254 NPC146422
Intermediate Similarity 0.8182 NPC27581
Intermediate Similarity 0.8168 NPC118522
Intermediate Similarity 0.8168 NPC115627
Intermediate Similarity 0.8168 NPC169207
Intermediate Similarity 0.8154 NPC142638
Intermediate Similarity 0.8154 NPC317784
Intermediate Similarity 0.8106 NPC326079
Intermediate Similarity 0.8095 NPC222084
Intermediate Similarity 0.8092 NPC319950
Intermediate Similarity 0.8045 NPC142577
Intermediate Similarity 0.8015 NPC85276
Intermediate Similarity 0.7974 NPC158900
Intermediate Similarity 0.7956 NPC296712
Intermediate Similarity 0.7926 NPC140359
Intermediate Similarity 0.7926 NPC13020
Intermediate Similarity 0.7914 NPC45191
Intermediate Similarity 0.791 NPC472271
Intermediate Similarity 0.791 NPC322332
Intermediate Similarity 0.7907 NPC264558
Intermediate Similarity 0.7899 NPC325651
Intermediate Similarity 0.7883 NPC236347
Intermediate Similarity 0.7883 NPC323775
Intermediate Similarity 0.7883 NPC476353
Intermediate Similarity 0.7879 NPC63126
Intermediate Similarity 0.7817 NPC6570
Intermediate Similarity 0.781 NPC280767
Intermediate Similarity 0.7786 NPC329595
Intermediate Similarity 0.7786 NPC326599
Intermediate Similarity 0.7786 NPC4665
Intermediate Similarity 0.7778 NPC194416
Intermediate Similarity 0.7778 NPC177291
Intermediate Similarity 0.7737 NPC288945
Intermediate Similarity 0.7737 NPC85565
Intermediate Similarity 0.771 NPC142599
Intermediate Similarity 0.7669 NPC145023
Intermediate Similarity 0.7669 NPC175799
Intermediate Similarity 0.7669 NPC200988
Intermediate Similarity 0.7669 NPC610
Intermediate Similarity 0.766 NPC48909
Intermediate Similarity 0.766 NPC326966
Intermediate Similarity 0.7655 NPC282087
Intermediate Similarity 0.7655 NPC241086
Intermediate Similarity 0.7655 NPC259800
Intermediate Similarity 0.7655 NPC317741
Intermediate Similarity 0.7655 NPC328137
Intermediate Similarity 0.7655 NPC318984
Intermediate Similarity 0.7655 NPC318028
Intermediate Similarity 0.7647 NPC474862
Intermediate Similarity 0.7634 NPC95381
Intermediate Similarity 0.7612 NPC203124
Intermediate Similarity 0.7612 NPC309434
Intermediate Similarity 0.7612 NPC86198
Intermediate Similarity 0.7606 NPC470392
Intermediate Similarity 0.7603 NPC91953
Intermediate Similarity 0.7576 NPC261453
Intermediate Similarity 0.7576 NPC328593
Intermediate Similarity 0.7576 NPC33749
Intermediate Similarity 0.7574 NPC98305
Intermediate Similarity 0.7574 NPC56634
Intermediate Similarity 0.7557 NPC48525
Intermediate Similarity 0.7556 NPC109371
Intermediate Similarity 0.7556 NPC470214
Intermediate Similarity 0.7556 NPC470215
Intermediate Similarity 0.7556 NPC70084
Intermediate Similarity 0.7551 NPC13696
Intermediate Similarity 0.754 NPC68055
Intermediate Similarity 0.7534 NPC326860
Intermediate Similarity 0.7534 NPC197921
Intermediate Similarity 0.7534 NPC197239
Intermediate Similarity 0.7519 NPC474967
Intermediate Similarity 0.7519 NPC31274
Intermediate Similarity 0.7519 NPC233669
Intermediate Similarity 0.7518 NPC478147
Intermediate Similarity 0.7483 NPC469360
Intermediate Similarity 0.7483 NPC33338
Intermediate Similarity 0.7483 NPC302171
Intermediate Similarity 0.7483 NPC300020
Intermediate Similarity 0.7483 NPC244866
Intermediate Similarity 0.7481 NPC226250
Intermediate Similarity 0.7481 NPC205502
Intermediate Similarity 0.7465 NPC226855
Intermediate Similarity 0.7465 NPC241354
Intermediate Similarity 0.7463 NPC281277
Intermediate Similarity 0.7462 NPC290566
Intermediate Similarity 0.7462 NPC326187
Intermediate Similarity 0.7462 NPC145638
Intermediate Similarity 0.7447 NPC281020
Intermediate Similarity 0.7445 NPC470849
Intermediate Similarity 0.7445 NPC470848
Intermediate Similarity 0.7444 NPC217472
Intermediate Similarity 0.7432 NPC204546
Intermediate Similarity 0.7426 NPC263386
Intermediate Similarity 0.7426 NPC141791
Intermediate Similarity 0.7426 NPC299406
Intermediate Similarity 0.741 NPC318777
Intermediate Similarity 0.7407 NPC137096
Intermediate Similarity 0.7407 NPC120075
Intermediate Similarity 0.7407 NPC65791
Intermediate Similarity 0.7379 NPC168799
Intermediate Similarity 0.7379 NPC475468
Intermediate Similarity 0.7379 NPC155209
Intermediate Similarity 0.7372 NPC34634
Intermediate Similarity 0.7372 NPC265454
Intermediate Similarity 0.7364 NPC1786
Intermediate Similarity 0.7364 NPC294902
Intermediate Similarity 0.7364 NPC1075
Intermediate Similarity 0.7361 NPC318799
Intermediate Similarity 0.7361 NPC198388
Intermediate Similarity 0.7353 NPC275519
Intermediate Similarity 0.7351 NPC17760
Intermediate Similarity 0.7347 NPC48202
Intermediate Similarity 0.7333 NPC299252
Intermediate Similarity 0.7333 NPC277394
Intermediate Similarity 0.7333 NPC61062
Intermediate Similarity 0.7329 NPC176814
Intermediate Similarity 0.7329 NPC106406
Intermediate Similarity 0.7329 NPC68779
Intermediate Similarity 0.7329 NPC471110
Intermediate Similarity 0.7329 NPC300776
Intermediate Similarity 0.7329 NPC5310
Intermediate Similarity 0.7329 NPC4982
Intermediate Similarity 0.7324 NPC158654
Intermediate Similarity 0.7323 NPC110764
Intermediate Similarity 0.731 NPC18074
Intermediate Similarity 0.731 NPC61
Intermediate Similarity 0.731 NPC25581
Intermediate Similarity 0.731 NPC5419
Intermediate Similarity 0.7305 NPC318965
Intermediate Similarity 0.7302 NPC125732
Intermediate Similarity 0.7302 NPC245561
Intermediate Similarity 0.7299 NPC268572
Intermediate Similarity 0.7299 NPC241634
Intermediate Similarity 0.7293 NPC131530
Intermediate Similarity 0.7286 NPC163083
Intermediate Similarity 0.7279 NPC150919
Intermediate Similarity 0.7267 NPC106183
Intermediate Similarity 0.7266 NPC201777
Intermediate Similarity 0.7266 NPC147654
Intermediate Similarity 0.7266 NPC211992
Intermediate Similarity 0.726 NPC307006
Intermediate Similarity 0.726 NPC129889
Intermediate Similarity 0.7259 NPC213
Intermediate Similarity 0.7259 NPC10286
Intermediate Similarity 0.7254 NPC147192
Intermediate Similarity 0.7248 NPC323123
Intermediate Similarity 0.7246 NPC202474
Intermediate Similarity 0.7244 NPC52472
Intermediate Similarity 0.7239 NPC309808
Intermediate Similarity 0.7234 NPC471927
Intermediate Similarity 0.7234 NPC146886
Intermediate Similarity 0.7234 NPC20443
Intermediate Similarity 0.7234 NPC60517
Intermediate Similarity 0.723 NPC90431
Intermediate Similarity 0.7226 NPC122009
Intermediate Similarity 0.7222 NPC109955
Intermediate Similarity 0.7218 NPC21890
Intermediate Similarity 0.7214 NPC86900
Intermediate Similarity 0.7214 NPC114298
Intermediate Similarity 0.7211 NPC248150
Intermediate Similarity 0.7209 NPC12278
Intermediate Similarity 0.7209 NPC52087
Intermediate Similarity 0.7203 NPC20287
Intermediate Similarity 0.7203 NPC12022
Intermediate Similarity 0.7203 NPC153990
Intermediate Similarity 0.7203 NPC293641
Intermediate Similarity 0.7203 NPC20404
Intermediate Similarity 0.7197 NPC56635
Intermediate Similarity 0.7194 NPC284078
Intermediate Similarity 0.7194 NPC204466
Intermediate Similarity 0.7183 NPC53305
Intermediate Similarity 0.7183 NPC257589
Intermediate Similarity 0.7181 NPC219233
Intermediate Similarity 0.7181 NPC170170
Intermediate Similarity 0.7181 NPC211468
Intermediate Similarity 0.7181 NPC471152
Intermediate Similarity 0.7174 NPC283760
Intermediate Similarity 0.7174 NPC156654
Intermediate Similarity 0.7171 NPC294249
Intermediate Similarity 0.7171 NPC125852
Intermediate Similarity 0.7165 NPC131587
Intermediate Similarity 0.7164 NPC17693
Intermediate Similarity 0.7163 NPC164778
Intermediate Similarity 0.7163 NPC242372
Intermediate Similarity 0.7163 NPC257976
Intermediate Similarity 0.7163 NPC4181
Intermediate Similarity 0.7162 NPC123988
Intermediate Similarity 0.7162 NPC113295

Drug Structure

External Identifiers

TTD   DIB000836
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  225.10
ALogP  -1.5036
MLogP  2.12
XLogP  0.799
HDA  3
HBD  3
Rotatable Bonds  9
TPSA  92.78
RO5 Violation  0