Drug Information

Drug ID:  NPD7007
Drug Name:  hygromycin derivatives (protozoal/bacterial infection), Pfizer
Molecular Formula:  C28H29F3N2O7
Canonical SMILES:  FCCCOc1cc(F)c(cc1F)/C=C(/C(=N[C@@H]1[C@H](O)[C@@H](O)[C@@H]2[C@H]([C@@H]1OCc1ccccc1C#N)OCO2)O)C
Standard InCHI:  InChI=1S/C28H29F3N2O7/c1-15(9-18-10-20(31)21(11-19(18)30)37-8-4-7-29)28(36)33-22-23(34)24(35)26-27(40-14-39-26)25(22)38-13-17-6-3-2-5-16(17)12-32/h2-3,5-6,9-11,22-27,34-35H,4,7-8,13-14H2,1H3,(H,33,36)/b15-9+/t22-,23+,24-,25-,26-,27+/m1/s1
Standard InCHIKey:  KWMXJVXBYMNMFG-YMJNWVGNSA-N
Max Developmental Stage:  Discovery
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7007

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 0.8198 NPC198741
Intermediate Similarity 0.8101 NPC474650
Intermediate Similarity 0.8046 NPC304846
Intermediate Similarity 0.8045 NPC474607
Intermediate Similarity 0.8035 NPC89199
Intermediate Similarity 0.8035 NPC54125
Intermediate Similarity 0.7989 NPC475794
Intermediate Similarity 0.7869 NPC474661
Intermediate Similarity 0.7869 NPC475919
Intermediate Similarity 0.7818 NPC178466
Intermediate Similarity 0.7818 NPC63628
Intermediate Similarity 0.7778 NPC1291
Intermediate Similarity 0.7778 NPC115343
Intermediate Similarity 0.7765 NPC289743
Intermediate Similarity 0.7765 NPC110374
Intermediate Similarity 0.7701 NPC69360
Intermediate Similarity 0.7654 NPC474953
Intermediate Similarity 0.7622 NPC34780
Intermediate Similarity 0.75 NPC182257
Intermediate Similarity 0.7449 NPC475768
Intermediate Similarity 0.7442 NPC139699
Intermediate Similarity 0.7442 NPC114659
Intermediate Similarity 0.7418 NPC477115
Intermediate Similarity 0.7412 NPC313414
Intermediate Similarity 0.7326 NPC277857
Intermediate Similarity 0.7326 NPC115144
Intermediate Similarity 0.7284 NPC198798
Intermediate Similarity 0.7283 NPC474051
Intermediate Similarity 0.7283 NPC471032
Intermediate Similarity 0.7283 NPC470935
Intermediate Similarity 0.7278 NPC195814
Intermediate Similarity 0.7273 NPC10221
Intermediate Similarity 0.7273 NPC140915
Intermediate Similarity 0.7273 NPC187028
Intermediate Similarity 0.7273 NPC18249
Intermediate Similarity 0.7273 NPC197741
Intermediate Similarity 0.7273 NPC305700
Intermediate Similarity 0.7253 NPC252960
Intermediate Similarity 0.7243 NPC187678
Intermediate Similarity 0.7225 NPC476743
Intermediate Similarity 0.7202 NPC254610
Intermediate Similarity 0.7189 NPC2314
Intermediate Similarity 0.7189 NPC228040
Intermediate Similarity 0.7184 NPC476744
Intermediate Similarity 0.7182 NPC218614
Intermediate Similarity 0.716 NPC29477
Intermediate Similarity 0.716 NPC36434
Intermediate Similarity 0.7159 NPC474560
Intermediate Similarity 0.7118 NPC77572
Intermediate Similarity 0.7118 NPC298821
Intermediate Similarity 0.7108 NPC471953
Intermediate Similarity 0.7105 NPC156576
Intermediate Similarity 0.7104 NPC90984
Intermediate Similarity 0.7102 NPC476742
Intermediate Similarity 0.7101 NPC25695
Intermediate Similarity 0.7101 NPC172818
Intermediate Similarity 0.7099 NPC62101
Intermediate Similarity 0.7099 NPC95733
Intermediate Similarity 0.7076 NPC123761
Intermediate Similarity 0.7074 NPC15919
Intermediate Similarity 0.7072 NPC4304
Intermediate Similarity 0.7069 NPC245974
Intermediate Similarity 0.7065 NPC100566
Intermediate Similarity 0.7062 NPC476741
Intermediate Similarity 0.7062 NPC127402
Intermediate Similarity 0.7059 NPC299583
Intermediate Similarity 0.7059 NPC49353
Intermediate Similarity 0.7053 NPC248642
Intermediate Similarity 0.7052 NPC136951
Intermediate Similarity 0.7052 NPC161155
Intermediate Similarity 0.7052 NPC97004
Intermediate Similarity 0.7049 NPC470936
Intermediate Similarity 0.7045 NPC182119
Intermediate Similarity 0.7043 NPC477640
Intermediate Similarity 0.7043 NPC470739
Intermediate Similarity 0.7043 NPC225597
Intermediate Similarity 0.7039 NPC87363
Intermediate Similarity 0.7037 NPC314213
Intermediate Similarity 0.7037 NPC211218
Intermediate Similarity 0.7033 NPC179250
Intermediate Similarity 0.7033 NPC50380
Intermediate Similarity 0.7011 NPC5462
Intermediate Similarity 0.7011 NPC97282
Intermediate Similarity 0.7 NPC204848
Intermediate Similarity 0.7 NPC315913
Intermediate Similarity 0.7 NPC160607
Intermediate Similarity 0.7 NPC312770
Intermediate Similarity 0.7 NPC41473
Intermediate Similarity 0.7 NPC14600
Remote Similarity 0.6994 NPC60249
Remote Similarity 0.6994 NPC302506
Remote Similarity 0.6989 NPC474475
Remote Similarity 0.6989 NPC311991
Remote Similarity 0.6984 NPC118633
Remote Similarity 0.6984 NPC148693
Remote Similarity 0.6984 NPC294790
Remote Similarity 0.6983 NPC56635
Remote Similarity 0.6979 NPC9867
Remote Similarity 0.6974 NPC24260
Remote Similarity 0.6961 NPC156348
Remote Similarity 0.6954 NPC470950
Remote Similarity 0.6954 NPC46092
Remote Similarity 0.6954 NPC247298
Remote Similarity 0.6954 NPC144314
Remote Similarity 0.6954 NPC185307
Remote Similarity 0.6947 NPC99179
Remote Similarity 0.6947 NPC126284
Remote Similarity 0.6944 NPC107602
Remote Similarity 0.6943 NPC214116
Remote Similarity 0.6936 NPC76871
Remote Similarity 0.6936 NPC108674
Remote Similarity 0.6935 NPC82533
Remote Similarity 0.6935 NPC158148
Remote Similarity 0.6935 NPC290759
Remote Similarity 0.6935 NPC475686
Remote Similarity 0.6935 NPC58766
Remote Similarity 0.6935 NPC266176
Remote Similarity 0.6933 NPC212176
Remote Similarity 0.6923 NPC215037
Remote Similarity 0.6923 NPC329837
Remote Similarity 0.6919 NPC477837
Remote Similarity 0.6919 NPC83289
Remote Similarity 0.6919 NPC50548
Remote Similarity 0.6919 NPC212850
Remote Similarity 0.6919 NPC189724
Remote Similarity 0.6919 NPC477838
Remote Similarity 0.6914 NPC283995
Remote Similarity 0.6914 NPC470235
Remote Similarity 0.6914 NPC129417
Remote Similarity 0.6914 NPC179521
Remote Similarity 0.6904 NPC149962
Remote Similarity 0.6897 NPC246947
Remote Similarity 0.6897 NPC472353
Remote Similarity 0.6897 NPC476356
Remote Similarity 0.6895 NPC314025
Remote Similarity 0.6893 NPC39657
Remote Similarity 0.689 NPC287429
Remote Similarity 0.6889 NPC474442
Remote Similarity 0.6886 NPC470706
Remote Similarity 0.6884 NPC123859
Remote Similarity 0.6882 NPC190332
Remote Similarity 0.6882 NPC187194
Remote Similarity 0.6882 NPC181653
Remote Similarity 0.6879 NPC193920
Remote Similarity 0.6875 NPC43508
Remote Similarity 0.6875 NPC476301
Remote Similarity 0.6875 NPC472154
Remote Similarity 0.6875 NPC38041
Remote Similarity 0.6875 NPC18979
Remote Similarity 0.6875 NPC23807
Remote Similarity 0.6875 NPC279298
Remote Similarity 0.6875 NPC22150
Remote Similarity 0.6875 NPC132771
Remote Similarity 0.6871 NPC476142
Remote Similarity 0.6868 NPC206736
Remote Similarity 0.6868 NPC195766
Remote Similarity 0.6862 NPC65403
Remote Similarity 0.686 NPC262328
Remote Similarity 0.686 NPC138738
Remote Similarity 0.686 NPC470413
Remote Similarity 0.686 NPC87777
Remote Similarity 0.6859 NPC244554
Remote Similarity 0.6859 NPC314656
Remote Similarity 0.6857 NPC473044
Remote Similarity 0.6854 NPC77359
Remote Similarity 0.6852 NPC469412
Remote Similarity 0.6852 NPC198734
Remote Similarity 0.6852 NPC269242
Remote Similarity 0.685 NPC242728
Remote Similarity 0.6845 NPC474491
Remote Similarity 0.6842 NPC79957
Remote Similarity 0.6842 NPC184938
Remote Similarity 0.6842 NPC101624
Remote Similarity 0.6842 NPC474470
Remote Similarity 0.6842 NPC237044
Remote Similarity 0.6839 NPC472711
Remote Similarity 0.6837 NPC475754
Remote Similarity 0.6836 NPC93610
Remote Similarity 0.6836 NPC241846
Remote Similarity 0.6836 NPC162193
Remote Similarity 0.6836 NPC288531
Remote Similarity 0.6836 NPC112861
Remote Similarity 0.6832 NPC159101
Remote Similarity 0.6828 NPC476002
Remote Similarity 0.6825 NPC152680
Remote Similarity 0.6825 NPC232386
Remote Similarity 0.6825 NPC190783
Remote Similarity 0.6824 NPC294166
Remote Similarity 0.6824 NPC25821
Remote Similarity 0.6824 NPC115022
Remote Similarity 0.6818 NPC217635
Remote Similarity 0.6818 NPC25292
Remote Similarity 0.6818 NPC472155
Remote Similarity 0.6818 NPC471063
Remote Similarity 0.6818 NPC473045
Remote Similarity 0.6818 NPC151704
Remote Similarity 0.6818 NPC79429
Remote Similarity 0.6818 NPC471667
Remote Similarity 0.6816 NPC51328
Remote Similarity 0.6816 NPC286235

Drug Structure

External Identifiers

TTD   DIB014203
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  562.19
ALogP  0.1072
MLogP  3.22
XLogP  3.978
HDA  8
HBD  3
Rotatable Bonds  17
TPSA  133.76
RO5 Violation  0