Drug ID:   | NPD1065 |
Drug Name:   | Crotamiton |
Molecular Formula:   | C13H17NO |
Canonical SMILES:   | C/C=C/C(=O)N(c1ccccc1C)CC |
Standard InCHI:   | InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+ |
Standard InCHIKey:   | DNTGGZPQPQTDQF-XBXARRHUSA-N |
Max Developmental Stage:   | Approved |
Max Developmental Stage Source:   | ChEMBL |
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.
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 | 0.8269 | NPC75496 |
Intermediate Similarity | 0.8017 | NPC291962 |
Intermediate Similarity | 0.8017 | NPC177684 |
Intermediate Similarity | 0.7949 | NPC112373 |
Intermediate Similarity | 0.7949 | NPC258531 |
Intermediate Similarity | 0.7949 | NPC161956 |
Intermediate Similarity | 0.7949 | NPC316582 |
Intermediate Similarity | 0.7931 | NPC228515 |
Intermediate Similarity | 0.7851 | NPC250476 |
Intermediate Similarity | 0.785 | NPC326792 |
Intermediate Similarity | 0.784 | NPC162417 |
Intermediate Similarity | 0.784 | NPC316104 |
Intermediate Similarity | 0.7807 | NPC57051 |
Intermediate Similarity | 0.7778 | NPC291610 |
Intermediate Similarity | 0.7748 | NPC20322 |
Intermediate Similarity | 0.7731 | NPC257490 |
Intermediate Similarity | 0.7723 | NPC305602 |
Intermediate Similarity | 0.7723 | NPC17497 |
Intermediate Similarity | 0.76 | NPC231382 |
Intermediate Similarity | 0.7563 | NPC226143 |
Intermediate Similarity | 0.7524 | NPC473661 |
Intermediate Similarity | 0.75 | NPC279385 |
Intermediate Similarity | 0.75 | NPC179605 |
Intermediate Similarity | 0.75 | NPC78154 |
Intermediate Similarity | 0.7462 | NPC469560 |
Intermediate Similarity | 0.7438 | NPC103292 |
Intermediate Similarity | 0.7405 | NPC130251 |
Intermediate Similarity | 0.7381 | NPC187231 |
Intermediate Similarity | 0.7377 | NPC39818 |
Intermediate Similarity | 0.7348 | NPC301760 |
Intermediate Similarity | 0.7317 | NPC254698 |
Intermediate Similarity | 0.7308 | NPC267508 |
Intermediate Similarity | 0.729 | NPC474974 |
Intermediate Similarity | 0.7273 | NPC315051 |
Intermediate Similarity | 0.7266 | NPC207428 |
Intermediate Similarity | 0.7231 | NPC300299 |
Intermediate Similarity | 0.7218 | NPC471164 |
Intermediate Similarity | 0.72 | NPC470343 |
Intermediate Similarity | 0.72 | NPC472244 |
Intermediate Similarity | 0.7176 | NPC325599 |
Intermediate Similarity | 0.7176 | NPC471123 |
Intermediate Similarity | 0.7164 | NPC238499 |
Intermediate Similarity | 0.7143 | NPC271642 |
Intermediate Similarity | 0.7143 | NPC322433 |
Intermediate Similarity | 0.713 | NPC172170 |
Intermediate Similarity | 0.7111 | NPC308197 |
Intermediate Similarity | 0.7107 | NPC31651 |
Intermediate Similarity | 0.7107 | NPC313449 |
Intermediate Similarity | 0.7097 | NPC268534 |
Intermediate Similarity | 0.7068 | NPC83214 |
Intermediate Similarity | 0.7064 | NPC256452 |
Intermediate Similarity | 0.7059 | NPC187036 |
Intermediate Similarity | 0.7059 | NPC296163 |
Intermediate Similarity | 0.7048 | NPC53492 |
Intermediate Similarity | 0.7041 | NPC98976 |
Intermediate Similarity | 0.7031 | NPC150863 |
Intermediate Similarity | 0.7 | NPC53044 |
Remote Similarity | 0.6992 | NPC122553 |
Remote Similarity | 0.699 | NPC134825 |
Remote Similarity | 0.6985 | NPC469537 |
Remote Similarity | 0.6981 | NPC111233 |
Remote Similarity | 0.6977 | NPC280807 |
Remote Similarity | 0.6977 | NPC314431 |
Remote Similarity | 0.6977 | NPC472245 |
Remote Similarity | 0.6967 | NPC192209 |
Remote Similarity | 0.6963 | NPC186284 |
Remote Similarity | 0.6963 | NPC22082 |
Remote Similarity | 0.695 | NPC117032 |
Remote Similarity | 0.6942 | NPC288232 |
Remote Similarity | 0.6937 | NPC472258 |
Remote Similarity | 0.6923 | NPC164802 |
Remote Similarity | 0.6887 | NPC262295 |
Remote Similarity | 0.6879 | NPC154602 |
Remote Similarity | 0.6879 | NPC243756 |
Remote Similarity | 0.6857 | NPC242000 |
Remote Similarity | 0.6838 | NPC55529 |
Remote Similarity | 0.6838 | NPC79618 |
Remote Similarity | 0.6838 | NPC470301 |
Remote Similarity | 0.6838 | NPC2823 |
Remote Similarity | 0.6831 | NPC285381 |
Remote Similarity | 0.6831 | NPC122106 |
Remote Similarity | 0.6827 | NPC474088 |
Remote Similarity | 0.6822 | NPC476950 |
Remote Similarity | 0.6809 | NPC473329 |
Remote Similarity | 0.6794 | NPC314098 |
Remote Similarity | 0.6786 | NPC212799 |
Remote Similarity | 0.678 | NPC302790 |
Remote Similarity | 0.6769 | NPC209389 |
Remote Similarity | 0.6767 | NPC253476 |
Remote Similarity | 0.6765 | NPC207554 |
Remote Similarity | 0.6748 | NPC313673 |
Remote Similarity | 0.6746 | NPC475915 |
Remote Similarity | 0.6739 | NPC277157 |
Remote Similarity | 0.6738 | NPC109787 |
Remote Similarity | 0.6719 | NPC192533 |
Remote Similarity | 0.6716 | NPC173295 |
Remote Similarity | 0.6715 | NPC471574 |
Remote Similarity | 0.6714 | NPC470440 |
Remote Similarity | 0.6698 | NPC229477 |
Remote Similarity | 0.6667 | NPC143516 |
Remote Similarity | 0.6667 | NPC30445 |
Remote Similarity | 0.6667 | NPC104070 |
Remote Similarity | 0.6667 | NPC12857 |
Remote Similarity | 0.6643 | NPC66936 |
Remote Similarity | 0.6638 | NPC474430 |
Remote Similarity | 0.6635 | NPC307456 |
Remote Similarity | 0.6617 | NPC476685 |
Remote Similarity | 0.6617 | NPC476687 |
Remote Similarity | 0.6617 | NPC476689 |
Remote Similarity | 0.6615 | NPC252794 |
Remote Similarity | 0.661 | NPC130898 |
Remote Similarity | 0.661 | NPC471447 |
Remote Similarity | 0.661 | NPC474804 |
Remote Similarity | 0.661 | NPC474973 |
Remote Similarity | 0.6596 | NPC324445 |
Remote Similarity | 0.6594 | NPC43477 |
Remote Similarity | 0.6591 | NPC194562 |
Remote Similarity | 0.6581 | NPC38262 |
Remote Similarity | 0.6581 | NPC275467 |
Remote Similarity | 0.6577 | NPC108800 |
Remote Similarity | 0.6571 | NPC136002 |
Remote Similarity | 0.6565 | NPC145754 |
Remote Similarity | 0.6555 | NPC434 |
Remote Similarity | 0.6552 | NPC281094 |
Remote Similarity | 0.6549 | NPC478186 |
Remote Similarity | 0.6538 | NPC475573 |
Remote Similarity | 0.6538 | NPC475289 |
Remote Similarity | 0.6525 | NPC473418 |
Remote Similarity | 0.6522 | NPC472243 |
Remote Similarity | 0.6518 | NPC71140 |
Remote Similarity | 0.6512 | NPC283130 |
Remote Similarity | 0.6512 | NPC328683 |
Remote Similarity | 0.6509 | NPC15839 |
Remote Similarity | 0.6508 | NPC264580 |
Remote Similarity | 0.6508 | NPC81561 |
Remote Similarity | 0.6504 | NPC314141 |
Remote Similarity | 0.65 | NPC473676 |
Remote Similarity | 0.65 | NPC478040 |
Remote Similarity | 0.6496 | NPC178681 |
Remote Similarity | 0.6493 | NPC40364 |
Remote Similarity | 0.6486 | NPC470926 |
Remote Similarity | 0.6467 | NPC478182 |
Remote Similarity | 0.6463 | NPC84317 |
Remote Similarity | 0.6463 | NPC469536 |
Remote Similarity | 0.6455 | NPC173991 |
Remote Similarity | 0.6455 | NPC176858 |
Remote Similarity | 0.6454 | NPC470822 |
Remote Similarity | 0.6452 | NPC246904 |
Remote Similarity | 0.6449 | NPC65408 |
Remote Similarity | 0.6449 | NPC169016 |
Remote Similarity | 0.6447 | NPC475248 |
Remote Similarity | 0.6447 | NPC63047 |
Remote Similarity | 0.6443 | NPC320064 |
Remote Similarity | 0.6443 | NPC315368 |
Remote Similarity | 0.6439 | NPC478079 |
Remote Similarity | 0.6429 | NPC148140 |
Remote Similarity | 0.6419 | NPC222029 |
Remote Similarity | 0.6419 | NPC104345 |
Remote Similarity | 0.6419 | NPC113946 |
Remote Similarity | 0.6412 | NPC79698 |
Remote Similarity | 0.6403 | NPC242933 |
Remote Similarity | 0.6397 | NPC184437 |
Remote Similarity | 0.6396 | NPC191444 |
Remote Similarity | 0.6382 | NPC214960 |
Remote Similarity | 0.6382 | NPC114637 |
Remote Similarity | 0.6382 | NPC279527 |
Remote Similarity | 0.6377 | NPC287358 |
Remote Similarity | 0.6376 | NPC293487 |
Remote Similarity | 0.6376 | NPC276085 |
Remote Similarity | 0.6376 | NPC154478 |
Remote Similarity | 0.6364 | NPC478039 |
Remote Similarity | 0.6364 | NPC355 |
Remote Similarity | 0.6351 | NPC29285 |
Remote Similarity | 0.6349 | NPC239357 |
Remote Similarity | 0.6345 | NPC144691 |
Remote Similarity | 0.6343 | NPC9856 |
Remote Similarity | 0.6341 | NPC475013 |
Remote Similarity | 0.6338 | NPC314186 |
Remote Similarity | 0.6333 | NPC68650 |
Remote Similarity | 0.6333 | NPC309531 |
Remote Similarity | 0.6333 | NPC472102 |
Remote Similarity | 0.6327 | NPC471132 |
Remote Similarity | 0.6321 | NPC231986 |
Remote Similarity | 0.6319 | NPC254798 |
Remote Similarity | 0.6312 | NPC472241 |
Remote Similarity | 0.6291 | NPC472120 |
Remote Similarity | 0.6291 | NPC472101 |
Remote Similarity | 0.6291 | NPC472117 |
Remote Similarity | 0.6277 | NPC313352 |
Remote Similarity | 0.6273 | NPC473031 |
Remote Similarity | 0.6271 | NPC329375 |
Remote Similarity | 0.6267 | NPC301163 |
Remote Similarity | 0.6267 | NPC471122 |
Remote Similarity | 0.625 | NPC98269 |
Remote Similarity | 0.625 | NPC476198 |
Remote Similarity | 0.625 | NPC220698 |
Remote Similarity | 0.625 | NPC167336 |
Remote Similarity | 0.625 | NPC313362 |
Remote Similarity | 0.625 | NPC325662 |
Remote Similarity | 0.6241 | NPC104483 |
TTD   | DIB003376 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 203.13 |
ALogP   | 1.1605 |
MLogP   | 2.67 |
XLogP   | 3.746 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 7 |
TPSA   | 20.31 |
RO5 Violation   | 0 |