Drug Information

Drug ID:  NPD5416
Drug Name:  SR-2566
Molecular Formula:  C23H18N2O3
Canonical SMILES:  OC(=O)c1ccccc1Nc1ccc(cc1)OCc1ccc2c(n1)cccc2
Standard InCHI:  InChI=1S/C23H18N2O3/c26-23(27)20-6-2-4-8-22(20)24-17-11-13-19(14-12-17)28-15-18-10-9-16-5-1-3-7-21(16)25-18/h1-14,24H,15H2,(H,26,27)
Standard InCHIKey:  KNXMLJDLGKTLBF-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5416

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 0.8137 NPC321428
Intermediate Similarity 0.799 NPC230403
Intermediate Similarity 0.7885 NPC165964
Intermediate Similarity 0.7868 NPC194040
Intermediate Similarity 0.784 NPC184408
Intermediate Similarity 0.7826 NPC300156
Intermediate Similarity 0.7822 NPC291609
Intermediate Similarity 0.7814 NPC280799
Intermediate Similarity 0.781 NPC87413
Intermediate Similarity 0.7788 NPC193238
Intermediate Similarity 0.7778 NPC124300
Intermediate Similarity 0.7767 NPC472099
Intermediate Similarity 0.7729 NPC317572
Intermediate Similarity 0.7713 NPC473187
Intermediate Similarity 0.7709 NPC208522
Intermediate Similarity 0.7707 NPC280714
Intermediate Similarity 0.7703 NPC329631
Intermediate Similarity 0.7688 NPC90415
Intermediate Similarity 0.7675 NPC310618
Intermediate Similarity 0.7656 NPC45190
Intermediate Similarity 0.7653 NPC39500
Intermediate Similarity 0.7642 NPC161801
Intermediate Similarity 0.7636 NPC157931
Intermediate Similarity 0.7628 NPC312645
Intermediate Similarity 0.7626 NPC243058
Intermediate Similarity 0.7619 NPC4687
Intermediate Similarity 0.7613 NPC474688
Intermediate Similarity 0.761 NPC90229
Intermediate Similarity 0.7605 NPC227824
Intermediate Similarity 0.7602 NPC274640
Intermediate Similarity 0.7594 NPC309845
Intermediate Similarity 0.7593 NPC96321
Intermediate Similarity 0.7588 NPC203635
Intermediate Similarity 0.7583 NPC39679
Intermediate Similarity 0.7579 NPC322644
Intermediate Similarity 0.7578 NPC473186
Intermediate Similarity 0.7578 NPC49547
Intermediate Similarity 0.7577 NPC475844
Intermediate Similarity 0.7574 NPC144381
Intermediate Similarity 0.7559 NPC187501
Intermediate Similarity 0.7557 NPC257851
Intermediate Similarity 0.7535 NPC118228
Intermediate Similarity 0.7534 NPC477112
Intermediate Similarity 0.7534 NPC144452
Intermediate Similarity 0.7534 NPC260434
Intermediate Similarity 0.7523 NPC323969
Intermediate Similarity 0.7523 NPC150239
Intermediate Similarity 0.7523 NPC174760
Intermediate Similarity 0.7522 NPC6786
Intermediate Similarity 0.7513 NPC219848
Intermediate Similarity 0.7513 NPC283152
Intermediate Similarity 0.7512 NPC276517
Intermediate Similarity 0.7512 NPC174576
Intermediate Similarity 0.7511 NPC182222
Intermediate Similarity 0.7511 NPC39370
Intermediate Similarity 0.75 NPC303225
Intermediate Similarity 0.75 NPC474192
Intermediate Similarity 0.75 NPC475720
Intermediate Similarity 0.75 NPC314633
Intermediate Similarity 0.7489 NPC198503
Intermediate Similarity 0.7488 NPC89508
Intermediate Similarity 0.7477 NPC74360
Intermediate Similarity 0.7477 NPC74575
Intermediate Similarity 0.7476 NPC223427
Intermediate Similarity 0.7475 NPC66083
Intermediate Similarity 0.7475 NPC256268
Intermediate Similarity 0.7474 NPC26850
Intermediate Similarity 0.7468 NPC67401
Intermediate Similarity 0.7466 NPC179287
Intermediate Similarity 0.7462 NPC84347
Intermediate Similarity 0.7458 NPC258048
Intermediate Similarity 0.7455 NPC474701
Intermediate Similarity 0.7454 NPC16066
Intermediate Similarity 0.7453 NPC315545
Intermediate Similarity 0.7453 NPC249583
Intermediate Similarity 0.7453 NPC314297
Intermediate Similarity 0.7445 NPC15801
Intermediate Similarity 0.7444 NPC471762
Intermediate Similarity 0.7443 NPC225279
Intermediate Similarity 0.7441 NPC132539
Intermediate Similarity 0.7431 NPC247803
Intermediate Similarity 0.743 NPC471304
Intermediate Similarity 0.743 NPC269367
Intermediate Similarity 0.7421 NPC51388
Intermediate Similarity 0.7419 NPC152768
Intermediate Similarity 0.7419 NPC148183
Intermediate Similarity 0.7419 NPC469928
Intermediate Similarity 0.7413 NPC320394
Intermediate Similarity 0.7406 NPC314855
Intermediate Similarity 0.7406 NPC313345
Intermediate Similarity 0.7406 NPC315638
Intermediate Similarity 0.7406 NPC313796
Intermediate Similarity 0.7404 NPC329982
Intermediate Similarity 0.7399 NPC478078
Intermediate Similarity 0.7397 NPC208084
Intermediate Similarity 0.7395 NPC294375
Intermediate Similarity 0.7393 NPC473800
Intermediate Similarity 0.7385 NPC169402
Intermediate Similarity 0.7376 NPC478141
Intermediate Similarity 0.7375 NPC132385
Intermediate Similarity 0.7373 NPC477979
Intermediate Similarity 0.7373 NPC116238
Intermediate Similarity 0.7361 NPC472098
Intermediate Similarity 0.7361 NPC244856
Intermediate Similarity 0.7358 NPC314648
Intermediate Similarity 0.7353 NPC216369
Intermediate Similarity 0.7352 NPC46561
Intermediate Similarity 0.7352 NPC473041
Intermediate Similarity 0.7349 NPC314834
Intermediate Similarity 0.7349 NPC123839
Intermediate Similarity 0.7345 NPC196718
Intermediate Similarity 0.7342 NPC478083
Intermediate Similarity 0.7342 NPC205372
Intermediate Similarity 0.7339 NPC3207
Intermediate Similarity 0.732 NPC118511
Intermediate Similarity 0.7319 NPC473188
Intermediate Similarity 0.7316 NPC26872
Intermediate Similarity 0.7315 NPC9894
Intermediate Similarity 0.7311 NPC165599
Intermediate Similarity 0.7309 NPC97746
Intermediate Similarity 0.7304 NPC475816
Intermediate Similarity 0.7299 NPC470586
Intermediate Similarity 0.7297 NPC216612
Intermediate Similarity 0.7295 NPC475190
Intermediate Similarity 0.7291 NPC42591
Intermediate Similarity 0.729 NPC243850
Intermediate Similarity 0.729 NPC244741
Intermediate Similarity 0.729 NPC283117
Intermediate Similarity 0.7289 NPC66777
Intermediate Similarity 0.7286 NPC288943
Intermediate Similarity 0.7281 NPC310211
Intermediate Similarity 0.7281 NPC308137
Intermediate Similarity 0.7277 NPC470018
Intermediate Similarity 0.7273 NPC148889
Intermediate Similarity 0.7273 NPC131885
Intermediate Similarity 0.7269 NPC470020
Intermediate Similarity 0.7269 NPC102593
Intermediate Similarity 0.7261 NPC101350
Intermediate Similarity 0.726 NPC322064
Intermediate Similarity 0.7256 NPC470280
Intermediate Similarity 0.7256 NPC266249
Intermediate Similarity 0.7248 NPC236424
Intermediate Similarity 0.7248 NPC151781
Intermediate Similarity 0.7248 NPC316181
Intermediate Similarity 0.7248 NPC306644
Intermediate Similarity 0.7248 NPC74562
Intermediate Similarity 0.724 NPC196449
Intermediate Similarity 0.724 NPC314222
Intermediate Similarity 0.7236 NPC312872
Intermediate Similarity 0.7234 NPC63971
Intermediate Similarity 0.7234 NPC91868
Intermediate Similarity 0.7232 NPC21638
Intermediate Similarity 0.7232 NPC473449
Intermediate Similarity 0.723 NPC476098
Intermediate Similarity 0.7229 NPC41501
Intermediate Similarity 0.7227 NPC27041
Intermediate Similarity 0.7222 NPC325297
Intermediate Similarity 0.7217 NPC235685
Intermediate Similarity 0.7215 NPC274842
Intermediate Similarity 0.7212 NPC311906
Intermediate Similarity 0.721 NPC316224
Intermediate Similarity 0.7208 NPC470894
Intermediate Similarity 0.7207 NPC132642
Intermediate Similarity 0.7207 NPC276657
Intermediate Similarity 0.7204 NPC128823
Intermediate Similarity 0.72 NPC8467
Intermediate Similarity 0.7198 NPC477066
Intermediate Similarity 0.7197 NPC53534
Intermediate Similarity 0.7196 NPC165349
Intermediate Similarity 0.7196 NPC329708
Intermediate Similarity 0.7196 NPC118832
Intermediate Similarity 0.7196 NPC47059
Intermediate Similarity 0.7196 NPC274291
Intermediate Similarity 0.7196 NPC264166
Intermediate Similarity 0.719 NPC141454
Intermediate Similarity 0.7188 NPC122436
Intermediate Similarity 0.7183 NPC291535
Intermediate Similarity 0.7183 NPC475085
Intermediate Similarity 0.7183 NPC475112
Intermediate Similarity 0.7182 NPC74969
Intermediate Similarity 0.7182 NPC330009
Intermediate Similarity 0.7176 NPC171787
Intermediate Similarity 0.7175 NPC60621
Intermediate Similarity 0.7174 NPC477549
Intermediate Similarity 0.7173 NPC315893
Intermediate Similarity 0.7173 NPC313587
Intermediate Similarity 0.7173 NPC316110
Intermediate Similarity 0.7171 NPC160381
Intermediate Similarity 0.7169 NPC232225
Intermediate Similarity 0.7169 NPC250448
Intermediate Similarity 0.7168 NPC140296
Intermediate Similarity 0.7167 NPC478081
Intermediate Similarity 0.7163 NPC476106
Intermediate Similarity 0.7162 NPC298436
Intermediate Similarity 0.7162 NPC288987
Intermediate Similarity 0.7162 NPC473179
Intermediate Similarity 0.7162 NPC473105
Intermediate Similarity 0.7161 NPC270515
Intermediate Similarity 0.7156 NPC23294
Intermediate Similarity 0.7156 NPC474916

Drug Structure

External Identifiers

TTD   DIB002004
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  370.13
ALogP  -0.8027
MLogP  3.44
XLogP  6.813
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  71.45
RO5 Violation  1