Drug Information

Drug ID:  NPD1918
Drug Name:  
Molecular Formula:  C16H14N2
Canonical SMILES:  Cc1cc2ncc(nc2cc1C)c1ccccc1
Standard InCHI:  InChI=1S/C16H14N2/c1-11-8-14-15(9-12(11)2)18-16(10-17-14)13-6-4-3-5-7-13/h3-10H,1-2H3
Standard InCHIKey:  FQNCLVJEQCJWSU-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1918

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 0.8929 NPC169433
High Similarity 0.8857 NPC314102
High Similarity 0.8857 NPC251722
High Similarity 0.8696 NPC282398
Intermediate Similarity 0.8344 NPC325903
Intermediate Similarity 0.8322 NPC470111
Intermediate Similarity 0.8322 NPC201380
Intermediate Similarity 0.8322 NPC179787
Intermediate Similarity 0.8321 NPC46358
Intermediate Similarity 0.8312 NPC44773
Intermediate Similarity 0.8312 NPC215584
Intermediate Similarity 0.8267 NPC321911
Intermediate Similarity 0.8255 NPC63545
Intermediate Similarity 0.8222 NPC143603
Intermediate Similarity 0.82 NPC469811
Intermediate Similarity 0.8129 NPC56765
Intermediate Similarity 0.8092 NPC40070
Intermediate Similarity 0.8088 NPC91958
Intermediate Similarity 0.8075 NPC297034
Intermediate Similarity 0.8067 NPC86288
Intermediate Similarity 0.8 NPC122718
Intermediate Similarity 0.8 NPC51054
Intermediate Similarity 0.7975 NPC478182
Intermediate Similarity 0.7975 NPC317105
Intermediate Similarity 0.7949 NPC236711
Intermediate Similarity 0.7926 NPC143156
Intermediate Similarity 0.7898 NPC293487
Intermediate Similarity 0.7898 NPC318065
Intermediate Similarity 0.7898 NPC206819
Intermediate Similarity 0.7898 NPC477591
Intermediate Similarity 0.7862 NPC90723
Intermediate Similarity 0.7848 NPC122141
Intermediate Similarity 0.7838 NPC150259
Intermediate Similarity 0.7834 NPC286427
Intermediate Similarity 0.7826 NPC162689
Intermediate Similarity 0.7826 NPC54102
Intermediate Similarity 0.7806 NPC470233
Intermediate Similarity 0.7799 NPC225018
Intermediate Similarity 0.7799 NPC470203
Intermediate Similarity 0.7785 NPC41257
Intermediate Similarity 0.7764 NPC478183
Intermediate Similarity 0.7756 NPC138842
Intermediate Similarity 0.775 NPC478184
Intermediate Similarity 0.7736 NPC470204
Intermediate Similarity 0.7733 NPC315348
Intermediate Similarity 0.7733 NPC32002
Intermediate Similarity 0.7733 NPC316811
Intermediate Similarity 0.7718 NPC84911
Intermediate Similarity 0.7714 NPC215519
Intermediate Similarity 0.7697 NPC280852
Intermediate Similarity 0.7697 NPC20144
Intermediate Similarity 0.7688 NPC478185
Intermediate Similarity 0.7682 NPC469783
Intermediate Similarity 0.7682 NPC469767
Intermediate Similarity 0.7682 NPC469780
Intermediate Similarity 0.7682 NPC469761
Intermediate Similarity 0.7682 NPC469779
Intermediate Similarity 0.7682 NPC469768
Intermediate Similarity 0.7682 NPC115611
Intermediate Similarity 0.7682 NPC469784
Intermediate Similarity 0.7681 NPC148140
Intermediate Similarity 0.7669 NPC91895
Intermediate Similarity 0.7662 NPC288838
Intermediate Similarity 0.766 NPC265605
Intermediate Similarity 0.766 NPC48564
Intermediate Similarity 0.766 NPC182570
Intermediate Similarity 0.7654 NPC56233
Intermediate Similarity 0.7651 NPC29886
Intermediate Similarity 0.7651 NPC96102
Intermediate Similarity 0.7651 NPC261195
Intermediate Similarity 0.7632 NPC469766
Intermediate Similarity 0.763 NPC27802
Intermediate Similarity 0.7628 NPC33421
Intermediate Similarity 0.7628 NPC53947
Intermediate Similarity 0.7626 NPC240136
Intermediate Similarity 0.7626 NPC297486
Intermediate Similarity 0.7626 NPC81561
Intermediate Similarity 0.7626 NPC471402
Intermediate Similarity 0.7622 NPC476322
Intermediate Similarity 0.7619 NPC256893
Intermediate Similarity 0.7616 NPC73767
Intermediate Similarity 0.7616 NPC110126
Intermediate Similarity 0.7603 NPC476131
Intermediate Similarity 0.76 NPC105127
Intermediate Similarity 0.7595 NPC476219
Intermediate Similarity 0.7593 NPC274229
Intermediate Similarity 0.7584 NPC198988
Intermediate Similarity 0.7561 NPC32534
Intermediate Similarity 0.7561 NPC194411
Intermediate Similarity 0.7552 NPC290094
Intermediate Similarity 0.7551 NPC69914
Intermediate Similarity 0.7533 NPC325252
Intermediate Similarity 0.753 NPC471579
Intermediate Similarity 0.7516 NPC88121
Intermediate Similarity 0.7515 NPC201634
Intermediate Similarity 0.7515 NPC82331
Intermediate Similarity 0.75 NPC101165
Intermediate Similarity 0.75 NPC82295
Intermediate Similarity 0.7485 NPC474958
Intermediate Similarity 0.7484 NPC476297
Intermediate Similarity 0.7468 NPC190296
Intermediate Similarity 0.7455 NPC97343
Intermediate Similarity 0.7453 NPC300238
Intermediate Similarity 0.7451 NPC284635
Intermediate Similarity 0.7451 NPC279081
Intermediate Similarity 0.7448 NPC166424
Intermediate Similarity 0.7448 NPC245244
Intermediate Similarity 0.7448 NPC146373
Intermediate Similarity 0.7425 NPC317054
Intermediate Similarity 0.7425 NPC275305
Intermediate Similarity 0.7425 NPC37423
Intermediate Similarity 0.7407 NPC231655
Intermediate Similarity 0.7407 NPC76540
Intermediate Similarity 0.7397 NPC202957
Intermediate Similarity 0.7397 NPC169625
Intermediate Similarity 0.7396 NPC12649
Intermediate Similarity 0.7391 NPC216643
Intermediate Similarity 0.7386 NPC104483
Intermediate Similarity 0.7386 NPC88097
Intermediate Similarity 0.7379 NPC27740
Intermediate Similarity 0.7372 NPC314372
Intermediate Similarity 0.7372 NPC285731
Intermediate Similarity 0.7361 NPC329825
Intermediate Similarity 0.7346 NPC6436
Intermediate Similarity 0.7342 NPC288445
Intermediate Similarity 0.7338 NPC230002
Intermediate Similarity 0.7337 NPC68354
Intermediate Similarity 0.7337 NPC237188
Intermediate Similarity 0.7329 NPC476464
Intermediate Similarity 0.7325 NPC143872
Intermediate Similarity 0.7325 NPC478186
Intermediate Similarity 0.7297 NPC89490
Intermediate Similarity 0.7296 NPC24678
Intermediate Similarity 0.7296 NPC105818
Intermediate Similarity 0.7294 NPC215795
Intermediate Similarity 0.7294 NPC176199
Intermediate Similarity 0.7284 NPC469897
Intermediate Similarity 0.7284 NPC129721
Intermediate Similarity 0.7278 NPC471957
Intermediate Similarity 0.7273 NPC312092
Intermediate Similarity 0.7267 NPC179365
Intermediate Similarity 0.7261 NPC159856
Intermediate Similarity 0.7251 NPC24864
Intermediate Similarity 0.7248 NPC475105
Intermediate Similarity 0.7248 NPC329896
Intermediate Similarity 0.7248 NPC475090
Intermediate Similarity 0.7239 NPC92796
Intermediate Similarity 0.7239 NPC135141
Intermediate Similarity 0.723 NPC471311
Intermediate Similarity 0.723 NPC471313
Intermediate Similarity 0.7226 NPC59084
Intermediate Similarity 0.7226 NPC2949
Intermediate Similarity 0.7216 NPC231536
Intermediate Similarity 0.7212 NPC265100
Intermediate Similarity 0.7209 NPC191415
Intermediate Similarity 0.7209 NPC307191
Intermediate Similarity 0.7205 NPC259644
Intermediate Similarity 0.7205 NPC469763
Intermediate Similarity 0.7205 NPC25008
Intermediate Similarity 0.7205 NPC469786
Intermediate Similarity 0.7205 NPC469760
Intermediate Similarity 0.7205 NPC469765
Intermediate Similarity 0.7205 NPC73952
Intermediate Similarity 0.72 NPC22079
Intermediate Similarity 0.7186 NPC70949
Intermediate Similarity 0.7179 NPC63157
Intermediate Similarity 0.7179 NPC473868
Intermediate Similarity 0.7178 NPC167635
Intermediate Similarity 0.7178 NPC193740
Intermediate Similarity 0.717 NPC21605
Intermediate Similarity 0.7162 NPC250361
Intermediate Similarity 0.7162 NPC476140
Intermediate Similarity 0.716 NPC70922
Intermediate Similarity 0.716 NPC212376
Intermediate Similarity 0.716 NPC80597
Intermediate Similarity 0.716 NPC75540
Intermediate Similarity 0.716 NPC211572
Intermediate Similarity 0.7152 NPC470440
Intermediate Similarity 0.7152 NPC475450
Intermediate Similarity 0.7152 NPC469525
Intermediate Similarity 0.7143 NPC235843
Intermediate Similarity 0.7143 NPC470823
Intermediate Similarity 0.7135 NPC157583
Intermediate Similarity 0.7134 NPC80681
Intermediate Similarity 0.7134 NPC475990
Intermediate Similarity 0.7134 NPC221786
Intermediate Similarity 0.7134 NPC474880
Intermediate Similarity 0.7133 NPC473587
Intermediate Similarity 0.7126 NPC284678
Intermediate Similarity 0.7126 NPC467063
Intermediate Similarity 0.7126 NPC108011
Intermediate Similarity 0.7119 NPC95783
Intermediate Similarity 0.7111 NPC128244
Intermediate Similarity 0.7105 NPC473930
Intermediate Similarity 0.7099 NPC141926
Intermediate Similarity 0.7099 NPC200214
Intermediate Similarity 0.7091 NPC229173
Intermediate Similarity 0.7086 NPC475428
Intermediate Similarity 0.7083 NPC63751
Intermediate Similarity 0.7078 NPC218268

Drug Structure

External Identifiers

TTD   DNC006594
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   2048
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  234.12
ALogP  1.284
MLogP  3
XLogP  5.434
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  25.78
RO5 Violation  1