Drug Information

Drug ID:  NPD3997
Drug Name:  Levoleucovorin
Molecular Formula:  C20H23N7O7
Canonical SMILES:  O=CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@H](C(=O)O)CCC(=O)O)CNc2c1c(O)nc(=N)[nH]2
Standard InCHI:  InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
Standard InCHIKey:  VVIAGPKUTFNRDU-STQMWFEESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3997

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 1.0 NPC147298
High Similarity 1.0 NPC131450
High Similarity 1.0 NPC182057
High Similarity 0.9812 NPC14849
High Similarity 0.9811 NPC328611
High Similarity 0.9565 NPC248862
Intermediate Similarity 0.7857 NPC147983
Intermediate Similarity 0.7857 NPC177996
Intermediate Similarity 0.7719 NPC84317
Intermediate Similarity 0.7665 NPC478039
Intermediate Similarity 0.763 NPC154478
Intermediate Similarity 0.7421 NPC322433
Intermediate Similarity 0.7303 NPC113056
Intermediate Similarity 0.7303 NPC138293
Intermediate Similarity 0.7273 NPC471155
Intermediate Similarity 0.7236 NPC270241
Intermediate Similarity 0.7222 NPC225400
Intermediate Similarity 0.7186 NPC470786
Intermediate Similarity 0.7186 NPC472538
Intermediate Similarity 0.7111 NPC189116
Intermediate Similarity 0.7092 NPC106118
Intermediate Similarity 0.7026 NPC472539
Intermediate Similarity 0.7026 NPC470787
Intermediate Similarity 0.7026 NPC472540
Remote Similarity 0.699 NPC472541
Remote Similarity 0.699 NPC472542
Remote Similarity 0.6989 NPC314223
Remote Similarity 0.6947 NPC471742
Remote Similarity 0.6936 NPC314186
Remote Similarity 0.6904 NPC471199
Remote Similarity 0.6897 NPC285192
Remote Similarity 0.6882 NPC287358
Remote Similarity 0.6866 NPC295548
Remote Similarity 0.686 NPC2823
Remote Similarity 0.686 NPC43477
Remote Similarity 0.6828 NPC292265
Remote Similarity 0.6821 NPC472241
Remote Similarity 0.6802 NPC242933
Remote Similarity 0.68 NPC472242
Remote Similarity 0.6794 NPC471197
Remote Similarity 0.6793 NPC471130
Remote Similarity 0.6776 NPC88970
Remote Similarity 0.6769 NPC471195
Remote Similarity 0.6769 NPC471196
Remote Similarity 0.6766 NPC472245
Remote Similarity 0.6762 NPC248601
Remote Similarity 0.6762 NPC471198
Remote Similarity 0.676 NPC117032
Remote Similarity 0.6721 NPC27904
Remote Similarity 0.6721 NPC68650
Remote Similarity 0.6707 NPC150863
Remote Similarity 0.6705 NPC472243
Remote Similarity 0.6667 NPC182131
Remote Similarity 0.6667 NPC194562
Remote Similarity 0.6667 NPC473815
Remote Similarity 0.6667 NPC471164
Remote Similarity 0.665 NPC276430
Remote Similarity 0.6649 NPC307396
Remote Similarity 0.6648 NPC473329
Remote Similarity 0.6632 NPC470317
Remote Similarity 0.6631 NPC66490
Remote Similarity 0.6627 NPC470343
Remote Similarity 0.6627 NPC472244
Remote Similarity 0.6615 NPC475685
Remote Similarity 0.6612 NPC104345
Remote Similarity 0.6612 NPC24617
Remote Similarity 0.6608 NPC162417
Remote Similarity 0.6608 NPC316104
Remote Similarity 0.6576 NPC114806
Remote Similarity 0.6573 NPC324445
Remote Similarity 0.6568 NPC314431
Remote Similarity 0.6568 NPC280807
Remote Similarity 0.6562 NPC475094
Remote Similarity 0.6552 NPC83214
Remote Similarity 0.6545 NPC475607
Remote Similarity 0.6538 NPC295021
Remote Similarity 0.6529 NPC314098
Remote Similarity 0.6524 NPC471194
Remote Similarity 0.6524 NPC471193
Remote Similarity 0.652 NPC471944
Remote Similarity 0.6517 NPC311658
Remote Similarity 0.6515 NPC313293
Remote Similarity 0.651 NPC474081
Remote Similarity 0.6494 NPC132636
Remote Similarity 0.6494 NPC122553
Remote Similarity 0.6492 NPC470548
Remote Similarity 0.6492 NPC475594
Remote Similarity 0.6479 NPC15384
Remote Similarity 0.6479 NPC244425
Remote Similarity 0.6477 NPC474041
Remote Similarity 0.6477 NPC475761
Remote Similarity 0.6476 NPC72956
Remote Similarity 0.6474 NPC355
Remote Similarity 0.6474 NPC300299
Remote Similarity 0.6474 NPC318183
Remote Similarity 0.6473 NPC471191
Remote Similarity 0.6445 NPC153980
Remote Similarity 0.6445 NPC6865
Remote Similarity 0.6432 NPC471192
Remote Similarity 0.642 NPC207554
Remote Similarity 0.6416 NPC253476
Remote Similarity 0.6409 NPC300596
Remote Similarity 0.6409 NPC237649
Remote Similarity 0.6404 NPC478040
Remote Similarity 0.6402 NPC220698
Remote Similarity 0.6398 NPC36495
Remote Similarity 0.6396 NPC235194
Remote Similarity 0.6395 NPC207428
Remote Similarity 0.6382 NPC316405
Remote Similarity 0.6369 NPC314114
Remote Similarity 0.6364 NPC319645
Remote Similarity 0.6359 NPC91179
Remote Similarity 0.6354 NPC177261
Remote Similarity 0.6354 NPC285622
Remote Similarity 0.6354 NPC254798
Remote Similarity 0.6346 NPC473376
Remote Similarity 0.6344 NPC1390
Remote Similarity 0.6344 NPC123241
Remote Similarity 0.6344 NPC62104
Remote Similarity 0.6339 NPC473341
Remote Similarity 0.6338 NPC471741
Remote Similarity 0.6335 NPC472118
Remote Similarity 0.633 NPC35510
Remote Similarity 0.633 NPC253667
Remote Similarity 0.6318 NPC92803
Remote Similarity 0.6316 NPC214960
Remote Similarity 0.6316 NPC279527
Remote Similarity 0.631 NPC276085
Remote Similarity 0.63 NPC18890
Remote Similarity 0.6296 NPC57051
Remote Similarity 0.629 NPC94167
Remote Similarity 0.629 NPC172937
Remote Similarity 0.6286 NPC314835
Remote Similarity 0.6278 NPC136002
Remote Similarity 0.6271 NPC315224
Remote Similarity 0.627 NPC469903
Remote Similarity 0.6265 NPC226143
Remote Similarity 0.6264 NPC13470
Remote Similarity 0.6263 NPC97584
Remote Similarity 0.6263 NPC228835
Remote Similarity 0.6257 NPC222029
Remote Similarity 0.6244 NPC316282
Remote Similarity 0.6243 NPC293458
Remote Similarity 0.6235 NPC205946
Remote Similarity 0.6231 NPC133003
Remote Similarity 0.6228 NPC27833
Remote Similarity 0.6223 NPC469901
Remote Similarity 0.6223 NPC469902
Remote Similarity 0.6216 NPC285381
Remote Similarity 0.6211 NPC217804
Remote Similarity 0.6211 NPC5719
Remote Similarity 0.6211 NPC22883
Remote Similarity 0.6211 NPC210377
Remote Similarity 0.6207 NPC476687
Remote Similarity 0.6207 NPC476689
Remote Similarity 0.6207 NPC476685
Remote Similarity 0.6205 NPC471743
Remote Similarity 0.6203 NPC63370
Remote Similarity 0.6203 NPC36836
Remote Similarity 0.6203 NPC324850
Remote Similarity 0.6201 NPC470301
Remote Similarity 0.6198 NPC470971
Remote Similarity 0.6198 NPC473000
Remote Similarity 0.6196 NPC300443
Remote Similarity 0.6195 NPC472293
Remote Similarity 0.619 NPC309531
Remote Similarity 0.619 NPC474058
Remote Similarity 0.619 NPC472102
Remote Similarity 0.6188 NPC473298
Remote Similarity 0.6188 NPC130797
Remote Similarity 0.6186 NPC54744
Remote Similarity 0.6184 NPC472297
Remote Similarity 0.6184 NPC472296
Remote Similarity 0.6183 NPC471132
Remote Similarity 0.6182 NPC239357
Remote Similarity 0.6182 NPC478141
Remote Similarity 0.6181 NPC285923
Remote Similarity 0.618 NPC469560
Remote Similarity 0.6178 NPC471124
Remote Similarity 0.6178 NPC89987
Remote Similarity 0.6178 NPC15068
Remote Similarity 0.6176 NPC192533
Remote Similarity 0.6173 NPC186669
Remote Similarity 0.617 NPC61013
Remote Similarity 0.6169 NPC17059
Remote Similarity 0.6166 NPC198254
Remote Similarity 0.6166 NPC274198
Remote Similarity 0.6164 NPC272174
Remote Similarity 0.6163 NPC58827
Remote Similarity 0.6163 NPC72473
Remote Similarity 0.6163 NPC307437
Remote Similarity 0.6162 NPC473404
Remote Similarity 0.6162 NPC66936
Remote Similarity 0.6158 NPC472117
Remote Similarity 0.615 NPC316141
Remote Similarity 0.6146 NPC472115
Remote Similarity 0.6146 NPC19692
Remote Similarity 0.6146 NPC220151
Remote Similarity 0.6146 NPC63040
Remote Similarity 0.6146 NPC472114

Drug Structure

External Identifiers

TTD  
DrugBank   DB11596
ChEMBL   CHEMBL1908841
IUPHAR/BPS  
PharmaGKB   PA450198
KEGG Drug   D04715
PubChem CID  
ChEBI   63606
CAS Number  68538-85-2

Drug Properties

Molecular Weight  473.17
ALogP  -3.7521
MLogP  2.12
XLogP  -0.04
HDA  14
HBD  8
Rotatable Bonds  14
TPSA  216.54
RO5 Violation  3