Drug Information

Drug ID:  NPD2977
Drug Name:  Protokylol Hydrochloride
Molecular Formula:  C18H21NO5.ClH
Canonical SMILES:  CC(Cc1ccc2c(c1)OCO2)NCC(c1ccc(c(c1)O)O)O.Cl
Standard InCHI:  InChI=1S/C18H21NO5.ClH/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13;/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3;1H
Standard InCHIKey:  LOVXREQUMZKFCM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2977

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 0.8839 NPC160931
High Similarity 0.8839 NPC37205
Intermediate Similarity 0.8425 NPC329595
Intermediate Similarity 0.8425 NPC326599
Intermediate Similarity 0.8313 NPC2314
Intermediate Similarity 0.8294 NPC135772
Intermediate Similarity 0.8293 NPC252960
Intermediate Similarity 0.8228 NPC277669
Intermediate Similarity 0.8228 NPC76213
Intermediate Similarity 0.8221 NPC218614
Intermediate Similarity 0.8212 NPC204848
Intermediate Similarity 0.8212 NPC41473
Intermediate Similarity 0.8212 NPC14600
Intermediate Similarity 0.8212 NPC160607
Intermediate Similarity 0.8212 NPC312770
Intermediate Similarity 0.8188 NPC106739
Intermediate Similarity 0.8176 NPC476574
Intermediate Similarity 0.8176 NPC312918
Intermediate Similarity 0.8176 NPC477561
Intermediate Similarity 0.8176 NPC155442
Intermediate Similarity 0.8151 NPC323775
Intermediate Similarity 0.8151 NPC236347
Intermediate Similarity 0.8148 NPC111485
Intermediate Similarity 0.8144 NPC225597
Intermediate Similarity 0.8144 NPC477640
Intermediate Similarity 0.8144 NPC470739
Intermediate Similarity 0.8129 NPC476575
Intermediate Similarity 0.8101 NPC207824
Intermediate Similarity 0.8101 NPC60538
Intermediate Similarity 0.8098 NPC4304
Intermediate Similarity 0.8084 NPC474475
Intermediate Similarity 0.8067 NPC471505
Intermediate Similarity 0.8061 NPC232514
Intermediate Similarity 0.8061 NPC276944
Intermediate Similarity 0.8061 NPC238530
Intermediate Similarity 0.8039 NPC299583
Intermediate Similarity 0.8026 NPC101624
Intermediate Similarity 0.8026 NPC184938
Intermediate Similarity 0.8024 NPC158148
Intermediate Similarity 0.8024 NPC266176
Intermediate Similarity 0.8024 NPC475686
Intermediate Similarity 0.8024 NPC58766
Intermediate Similarity 0.8024 NPC82533
Intermediate Similarity 0.8024 NPC290759
Intermediate Similarity 0.8023 NPC275132
Intermediate Similarity 0.8023 NPC248642
Intermediate Similarity 0.8013 NPC294249
Intermediate Similarity 0.8012 NPC2295
Intermediate Similarity 0.8012 NPC477564
Intermediate Similarity 0.8011 NPC117717
Intermediate Similarity 0.7977 NPC156576
Intermediate Similarity 0.7974 NPC254610
Intermediate Similarity 0.7974 NPC193528
Intermediate Similarity 0.7964 NPC100566
Intermediate Similarity 0.7953 NPC320223
Intermediate Similarity 0.7953 NPC114364
Intermediate Similarity 0.795 NPC270811
Intermediate Similarity 0.795 NPC471073
Intermediate Similarity 0.7945 NPC13020
Intermediate Similarity 0.7945 NPC140359
Intermediate Similarity 0.7943 NPC186546
Intermediate Similarity 0.7943 NPC476576
Intermediate Similarity 0.7941 NPC329969
Intermediate Similarity 0.7941 NPC477558
Intermediate Similarity 0.7935 NPC204546
Intermediate Similarity 0.7925 NPC428
Intermediate Similarity 0.7925 NPC476571
Intermediate Similarity 0.7925 NPC246587
Intermediate Similarity 0.7925 NPC475959
Intermediate Similarity 0.7925 NPC147390
Intermediate Similarity 0.7925 NPC135538
Intermediate Similarity 0.7925 NPC24233
Intermediate Similarity 0.7908 NPC142547
Intermediate Similarity 0.7908 NPC135777
Intermediate Similarity 0.7907 NPC267408
Intermediate Similarity 0.7907 NPC126284
Intermediate Similarity 0.7907 NPC99179
Intermediate Similarity 0.7904 NPC198741
Intermediate Similarity 0.7904 NPC476002
Intermediate Similarity 0.7886 NPC57036
Intermediate Similarity 0.7882 NPC477020
Intermediate Similarity 0.7882 NPC192135
Intermediate Similarity 0.7882 NPC66341
Intermediate Similarity 0.7881 NPC214869
Intermediate Similarity 0.7879 NPC158900
Intermediate Similarity 0.7879 NPC205167
Intermediate Similarity 0.7877 NPC298486
Intermediate Similarity 0.787 NPC109925
Intermediate Similarity 0.787 NPC152212
Intermediate Similarity 0.7862 NPC321505
Intermediate Similarity 0.7862 NPC179825
Intermediate Similarity 0.7862 NPC277857
Intermediate Similarity 0.7862 NPC115144
Intermediate Similarity 0.7862 NPC191376
Intermediate Similarity 0.7857 NPC190332
Intermediate Similarity 0.7857 NPC181653
Intermediate Similarity 0.7857 NPC210140
Intermediate Similarity 0.7853 NPC475754
Intermediate Similarity 0.7843 NPC11147
Intermediate Similarity 0.7843 NPC470881
Intermediate Similarity 0.7836 NPC128560
Intermediate Similarity 0.7836 NPC229166
Intermediate Similarity 0.7836 NPC199465
Intermediate Similarity 0.7836 NPC187678
Intermediate Similarity 0.7829 NPC219671
Intermediate Similarity 0.7829 NPC147616
Intermediate Similarity 0.7829 NPC104077
Intermediate Similarity 0.7829 NPC259742
Intermediate Similarity 0.7821 NPC66518
Intermediate Similarity 0.7818 NPC59028
Intermediate Similarity 0.7818 NPC92191
Intermediate Similarity 0.7815 NPC173308
Intermediate Similarity 0.7815 NPC275950
Intermediate Similarity 0.7815 NPC181079
Intermediate Similarity 0.7815 NPC114102
Intermediate Similarity 0.7806 NPC474039
Intermediate Similarity 0.7805 NPC147091
Intermediate Similarity 0.7791 NPC474470
Intermediate Similarity 0.7785 NPC274356
Intermediate Similarity 0.7778 NPC6836
Intermediate Similarity 0.7778 NPC169973
Intermediate Similarity 0.7771 NPC249274
Intermediate Similarity 0.7771 NPC97072
Intermediate Similarity 0.7771 NPC215829
Intermediate Similarity 0.7771 NPC165797
Intermediate Similarity 0.7771 NPC472711
Intermediate Similarity 0.7765 NPC69712
Intermediate Similarity 0.7765 NPC26240
Intermediate Similarity 0.7765 NPC477562
Intermediate Similarity 0.7765 NPC311991
Intermediate Similarity 0.7765 NPC6152
Intermediate Similarity 0.7763 NPC476345
Intermediate Similarity 0.7763 NPC65942
Intermediate Similarity 0.7763 NPC248307
Intermediate Similarity 0.7756 NPC88640
Intermediate Similarity 0.7756 NPC123526
Intermediate Similarity 0.7756 NPC193666
Intermediate Similarity 0.7751 NPC150879
Intermediate Similarity 0.7748 NPC52029
Intermediate Similarity 0.7748 NPC475875
Intermediate Similarity 0.7748 NPC35961
Intermediate Similarity 0.7748 NPC195749
Intermediate Similarity 0.7748 NPC470706
Intermediate Similarity 0.7746 NPC148693
Intermediate Similarity 0.7746 NPC118633
Intermediate Similarity 0.7746 NPC294790
Intermediate Similarity 0.7742 NPC25695
Intermediate Similarity 0.7742 NPC52277
Intermediate Similarity 0.7742 NPC177035
Intermediate Similarity 0.7742 NPC199459
Intermediate Similarity 0.7742 NPC172818
Intermediate Similarity 0.7738 NPC284183
Intermediate Similarity 0.7738 NPC121275
Intermediate Similarity 0.7738 NPC4138
Intermediate Similarity 0.7738 NPC134858
Intermediate Similarity 0.7736 NPC185838
Intermediate Similarity 0.7725 NPC247251
Intermediate Similarity 0.7719 NPC57272
Intermediate Similarity 0.7716 NPC151895
Intermediate Similarity 0.7716 NPC192768
Intermediate Similarity 0.7716 NPC88249
Intermediate Similarity 0.7716 NPC220858
Intermediate Similarity 0.7716 NPC97221
Intermediate Similarity 0.7712 NPC252833
Intermediate Similarity 0.7711 NPC69360
Intermediate Similarity 0.7707 NPC323204
Intermediate Similarity 0.7703 NPC471693
Intermediate Similarity 0.7702 NPC470935
Intermediate Similarity 0.7702 NPC471032
Intermediate Similarity 0.7701 NPC244554
Intermediate Similarity 0.7697 NPC42300
Intermediate Similarity 0.7697 NPC92164
Intermediate Similarity 0.7697 NPC77040
Intermediate Similarity 0.7697 NPC153739
Intermediate Similarity 0.7697 NPC242807
Intermediate Similarity 0.7697 NPC241522
Intermediate Similarity 0.7697 NPC145305
Intermediate Similarity 0.7697 NPC64201
Intermediate Similarity 0.7697 NPC257582
Intermediate Similarity 0.7697 NPC187998
Intermediate Similarity 0.7697 NPC174495
Intermediate Similarity 0.7692 NPC470413
Intermediate Similarity 0.7692 NPC124657
Intermediate Similarity 0.7692 NPC81247
Intermediate Similarity 0.7692 NPC138738
Intermediate Similarity 0.7692 NPC35627
Intermediate Similarity 0.7692 NPC86144
Intermediate Similarity 0.7692 NPC477798
Intermediate Similarity 0.7692 NPC476573
Intermediate Similarity 0.7692 NPC477797
Intermediate Similarity 0.7692 NPC304659
Intermediate Similarity 0.7688 NPC11708
Intermediate Similarity 0.7688 NPC237044
Intermediate Similarity 0.7684 NPC214116
Intermediate Similarity 0.7683 NPC292003
Intermediate Similarity 0.7682 NPC11258
Intermediate Similarity 0.7682 NPC129570
Intermediate Similarity 0.7682 NPC21867
Intermediate Similarity 0.7682 NPC155838
Intermediate Similarity 0.7682 NPC282703

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  331.14
ALogP  -2.0795
MLogP  2.78
XLogP  2.062
HDA  2
HBD  4
Rotatable Bonds  10
TPSA  91.18
RO5 Violation  0