Drug Information

Drug ID:  NPD1185
Drug Name:  Mitotane
Molecular Formula:  C14H10Cl4
Canonical SMILES:  ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl
Standard InCHI:  InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
Standard InCHIKey:  JWBOIMRXGHLCPP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1185

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 0.7436 NPC113670
Intermediate Similarity 0.7403 NPC200624
Intermediate Similarity 0.7403 NPC246588
Intermediate Similarity 0.7179 NPC135924
Intermediate Similarity 0.716 NPC267443
Intermediate Similarity 0.7143 NPC36357
Intermediate Similarity 0.7143 NPC114327
Intermediate Similarity 0.7125 NPC291066
Intermediate Similarity 0.7089 NPC22786
Intermediate Similarity 0.7089 NPC71009
Intermediate Similarity 0.7 NPC88566
Remote Similarity 0.6988 NPC246822
Remote Similarity 0.6988 NPC139416
Remote Similarity 0.6988 NPC213570
Remote Similarity 0.6988 NPC473206
Remote Similarity 0.6914 NPC155172
Remote Similarity 0.6914 NPC32312
Remote Similarity 0.6914 NPC198023
Remote Similarity 0.6905 NPC251490
Remote Similarity 0.6905 NPC263385
Remote Similarity 0.6905 NPC72670
Remote Similarity 0.6883 NPC198841
Remote Similarity 0.6875 NPC29680
Remote Similarity 0.6875 NPC200745
Remote Similarity 0.6824 NPC87099
Remote Similarity 0.6824 NPC226999
Remote Similarity 0.6824 NPC280135
Remote Similarity 0.6824 NPC193578
Remote Similarity 0.6824 NPC1008
Remote Similarity 0.6824 NPC158028
Remote Similarity 0.6824 NPC135433
Remote Similarity 0.6824 NPC39799
Remote Similarity 0.6795 NPC300345
Remote Similarity 0.6795 NPC65873
Remote Similarity 0.6795 NPC120441
Remote Similarity 0.6795 NPC212114
Remote Similarity 0.679 NPC45756
Remote Similarity 0.6753 NPC149436
Remote Similarity 0.675 NPC150196
Remote Similarity 0.675 NPC310758
Remote Similarity 0.675 NPC210849
Remote Similarity 0.675 NPC238023
Remote Similarity 0.675 NPC54368
Remote Similarity 0.675 NPC248705
Remote Similarity 0.6744 NPC1901
Remote Similarity 0.6744 NPC54269
Remote Similarity 0.6709 NPC18259
Remote Similarity 0.6709 NPC119076
Remote Similarity 0.6667 NPC96835
Remote Similarity 0.6667 NPC66517
Remote Similarity 0.6667 NPC269586
Remote Similarity 0.6667 NPC258492
Remote Similarity 0.6627 NPC178527
Remote Similarity 0.6627 NPC36440
Remote Similarity 0.6625 NPC147062
Remote Similarity 0.6591 NPC307195
Remote Similarity 0.6585 NPC21211
Remote Similarity 0.6571 NPC474559
Remote Similarity 0.6548 NPC6107
Remote Similarity 0.6543 NPC134584
Remote Similarity 0.6538 NPC277704
Remote Similarity 0.6506 NPC264470
Remote Similarity 0.65 NPC8235
Remote Similarity 0.65 NPC64270
Remote Similarity 0.6484 NPC159661
Remote Similarity 0.6444 NPC249018
Remote Similarity 0.6444 NPC3190
Remote Similarity 0.6429 NPC289915
Remote Similarity 0.6429 NPC113837
Remote Similarity 0.642 NPC169110
Remote Similarity 0.6396 NPC91452
Remote Similarity 0.6395 NPC5324
Remote Similarity 0.6395 NPC297358
Remote Similarity 0.6374 NPC66270
Remote Similarity 0.6374 NPC255345
Remote Similarity 0.6374 NPC245896
Remote Similarity 0.6283 NPC244403
Remote Similarity 0.6279 NPC22760
Remote Similarity 0.6264 NPC9796
Remote Similarity 0.6237 NPC50063
Remote Similarity 0.6237 NPC315216
Remote Similarity 0.619 NPC50266
Remote Similarity 0.618 NPC212463
Remote Similarity 0.6145 NPC45255
Remote Similarity 0.6129 NPC272260
Remote Similarity 0.6121 NPC320656
Remote Similarity 0.6111 NPC474910
Remote Similarity 0.6091 NPC146096
Remote Similarity 0.6087 NPC298023
Remote Similarity 0.6064 NPC95868
Remote Similarity 0.6064 NPC477703
Remote Similarity 0.6064 NPC184030
Remote Similarity 0.6064 NPC164449
Remote Similarity 0.605 NPC42644
Remote Similarity 0.6042 NPC125549
Remote Similarity 0.6024 NPC147578
Remote Similarity 0.6023 NPC200936
Remote Similarity 0.6022 NPC224544
Remote Similarity 0.6022 NPC103488
Remote Similarity 0.6 NPC273033
Remote Similarity 0.6 NPC12936
Remote Similarity 0.5982 NPC313981
Remote Similarity 0.5979 NPC133162
Remote Similarity 0.5979 NPC95429
Remote Similarity 0.5978 NPC110264
Remote Similarity 0.5957 NPC151405
Remote Similarity 0.5957 NPC139901
Remote Similarity 0.5955 NPC229235
Remote Similarity 0.5955 NPC95289
Remote Similarity 0.5938 NPC121478
Remote Similarity 0.5938 NPC73637
Remote Similarity 0.5926 NPC471310
Remote Similarity 0.5914 NPC179726
Remote Similarity 0.5909 NPC82770
Remote Similarity 0.5909 NPC239931
Remote Similarity 0.5909 NPC78954
Remote Similarity 0.5909 NPC311343
Remote Similarity 0.5895 NPC17408
Remote Similarity 0.5895 NPC157055
Remote Similarity 0.5895 NPC285716
Remote Similarity 0.5895 NPC71664
Remote Similarity 0.5889 NPC74458
Remote Similarity 0.5889 NPC208302
Remote Similarity 0.5876 NPC273758
Remote Similarity 0.5876 NPC119677
Remote Similarity 0.587 NPC276699
Remote Similarity 0.587 NPC189371
Remote Similarity 0.5859 NPC148231
Remote Similarity 0.5843 NPC16190
Remote Similarity 0.5843 NPC169222
Remote Similarity 0.5843 NPC98880
Remote Similarity 0.5843 NPC235059
Remote Similarity 0.5824 NPC285679
Remote Similarity 0.5824 NPC244738
Remote Similarity 0.5824 NPC271437
Remote Similarity 0.5816 NPC245531
Remote Similarity 0.58 NPC60408
Remote Similarity 0.5795 NPC52330
Remote Similarity 0.5773 NPC230068
Remote Similarity 0.5773 NPC475199
Remote Similarity 0.5773 NPC283012
Remote Similarity 0.5761 NPC208075
Remote Similarity 0.5761 NPC108218
Remote Similarity 0.5761 NPC113000
Remote Similarity 0.5761 NPC122327
Remote Similarity 0.5761 NPC112609
Remote Similarity 0.5758 NPC99482
Remote Similarity 0.5758 NPC475710
Remote Similarity 0.5745 NPC290638
Remote Similarity 0.5743 NPC12429
Remote Similarity 0.5743 NPC267262
Remote Similarity 0.5729 NPC328178
Remote Similarity 0.5729 NPC190567
Remote Similarity 0.5714 NPC155429
Remote Similarity 0.5714 NPC477770
Remote Similarity 0.5714 NPC149263
Remote Similarity 0.5714 NPC326200
Remote Similarity 0.5686 NPC176858
Remote Similarity 0.5686 NPC325709
Remote Similarity 0.5686 NPC298115
Remote Similarity 0.5686 NPC199567
Remote Similarity 0.5686 NPC418308
Remote Similarity 0.5686 NPC113307
Remote Similarity 0.567 NPC133050
Remote Similarity 0.567 NPC242628
Remote Similarity 0.567 NPC165212
Remote Similarity 0.5664 NPC77294
Remote Similarity 0.5657 NPC169016
Remote Similarity 0.5644 NPC69057
Remote Similarity 0.5638 NPC139658
Remote Similarity 0.5631 NPC191444
Remote Similarity 0.5631 NPC26224
Remote Similarity 0.5631 NPC277277
Remote Similarity 0.5631 NPC19256
Remote Similarity 0.5614 NPC216122
Remote Similarity 0.5607 NPC325499
Remote Similarity 0.5604 NPC219246
Remote Similarity 0.56 NPC252067
Remote Similarity 0.56 NPC123476

Drug Structure

External Identifiers

TTD   DAP000033
DrugBank   DB00648
ChEMBL   CHEMBL1670
IUPHAR/BPS   6957
PharmaGKB   PA164746157
KEGG Drug   D00420
PubChem CID   4211
ChEBI   6954
CAS Number  53-19-0

Drug Properties

Molecular Weight  317.95
ALogP  2.6539
MLogP  2.56
XLogP  6.578
HDA  0
HBD  0
Rotatable Bonds  7
TPSA  0
RO5 Violation  1