Drug ID:   | NPD2991 |
Drug Name:   | Chlorphenoxamine |
Molecular Formula:   | C18H22ClNO |
Canonical SMILES:   | CN(CCOC(c1ccc(cc1)Cl)(c1ccccc1)C)C |
Standard InCHI:   | InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3 |
Standard InCHIKey:   | KKHPNPMTPORSQE-UHFFFAOYSA-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 |
---|---|---|
High Similarity | 0.8679 | NPC316797 |
Intermediate Similarity | 0.7823 | NPC255253 |
Intermediate Similarity | 0.7167 | NPC24777 |
Intermediate Similarity | 0.7165 | NPC316896 |
Intermediate Similarity | 0.7143 | NPC165212 |
Intermediate Similarity | 0.7103 | NPC95429 |
Remote Similarity | 0.6957 | NPC325499 |
Remote Similarity | 0.6923 | NPC214200 |
Remote Similarity | 0.6923 | NPC228400 |
Remote Similarity | 0.6911 | NPC269340 |
Remote Similarity | 0.6885 | NPC292758 |
Remote Similarity | 0.6885 | NPC65855 |
Remote Similarity | 0.6884 | NPC316906 |
Remote Similarity | 0.6833 | NPC474559 |
Remote Similarity | 0.6822 | NPC321133 |
Remote Similarity | 0.6815 | NPC473247 |
Remote Similarity | 0.6696 | NPC304760 |
Remote Similarity | 0.6667 | NPC471310 |
Remote Similarity | 0.6667 | NPC119631 |
Remote Similarity | 0.661 | NPC313918 |
Remote Similarity | 0.661 | NPC475954 |
Remote Similarity | 0.6606 | NPC106313 |
Remote Similarity | 0.6583 | NPC60373 |
Remote Similarity | 0.6583 | NPC327226 |
Remote Similarity | 0.6583 | NPC154905 |
Remote Similarity | 0.6579 | NPC213156 |
Remote Similarity | 0.6579 | NPC240108 |
Remote Similarity | 0.6577 | NPC58616 |
Remote Similarity | 0.6574 | NPC328178 |
Remote Similarity | 0.6557 | NPC211551 |
Remote Similarity | 0.6547 | NPC273984 |
Remote Similarity | 0.6541 | NPC27198 |
Remote Similarity | 0.6514 | NPC133050 |
Remote Similarity | 0.6504 | NPC326801 |
Remote Similarity | 0.6504 | NPC92623 |
Remote Similarity | 0.6504 | NPC135464 |
Remote Similarity | 0.65 | NPC245927 |
Remote Similarity | 0.6493 | NPC328267 |
Remote Similarity | 0.6493 | NPC211218 |
Remote Similarity | 0.6491 | NPC220893 |
Remote Similarity | 0.6491 | NPC1793 |
Remote Similarity | 0.6486 | NPC304538 |
Remote Similarity | 0.648 | NPC273837 |
Remote Similarity | 0.6475 | NPC304761 |
Remote Similarity | 0.6475 | NPC226778 |
Remote Similarity | 0.6475 | NPC150254 |
Remote Similarity | 0.6475 | NPC147000 |
Remote Similarity | 0.646 | NPC89377 |
Remote Similarity | 0.6446 | NPC300166 |
Remote Similarity | 0.6439 | NPC263835 |
Remote Similarity | 0.6429 | NPC475710 |
Remote Similarity | 0.6429 | NPC474354 |
Remote Similarity | 0.6423 | NPC154899 |
Remote Similarity | 0.6423 | NPC233396 |
Remote Similarity | 0.6418 | NPC474283 |
Remote Similarity | 0.6406 | NPC176730 |
Remote Similarity | 0.6406 | NPC123175 |
Remote Similarity | 0.6406 | NPC91452 |
Remote Similarity | 0.6391 | NPC476184 |
Remote Similarity | 0.6391 | NPC476281 |
Remote Similarity | 0.6387 | NPC33168 |
Remote Similarity | 0.6372 | NPC474211 |
Remote Similarity | 0.6371 | NPC113457 |
Remote Similarity | 0.637 | NPC307020 |
Remote Similarity | 0.6364 | NPC256369 |
Remote Similarity | 0.6364 | NPC43275 |
Remote Similarity | 0.6356 | NPC215351 |
Remote Similarity | 0.6356 | NPC5472 |
Remote Similarity | 0.6356 | NPC20142 |
Remote Similarity | 0.6349 | NPC265211 |
Remote Similarity | 0.6349 | NPC474272 |
Remote Similarity | 0.6349 | NPC306045 |
Remote Similarity | 0.6348 | NPC199567 |
Remote Similarity | 0.6348 | NPC173443 |
Remote Similarity | 0.6343 | NPC14287 |
Remote Similarity | 0.6339 | NPC168855 |
Remote Similarity | 0.6333 | NPC303611 |
Remote Similarity | 0.6333 | NPC108606 |
Remote Similarity | 0.6333 | NPC470161 |
Remote Similarity | 0.6333 | NPC226096 |
Remote Similarity | 0.6333 | NPC290515 |
Remote Similarity | 0.6333 | NPC164514 |
Remote Similarity | 0.6328 | NPC128368 |
Remote Similarity | 0.6325 | NPC265521 |
Remote Similarity | 0.6324 | NPC95733 |
Remote Similarity | 0.6324 | NPC62101 |
Remote Similarity | 0.6316 | NPC476183 |
Remote Similarity | 0.6312 | NPC66643 |
Remote Similarity | 0.6308 | NPC303370 |
Remote Similarity | 0.6308 | NPC244403 |
Remote Similarity | 0.6306 | NPC87299 |
Remote Similarity | 0.6306 | NPC283012 |
Remote Similarity | 0.6306 | NPC329319 |
Remote Similarity | 0.6306 | NPC475199 |
Remote Similarity | 0.6306 | NPC99394 |
Remote Similarity | 0.6306 | NPC103326 |
Remote Similarity | 0.6299 | NPC95977 |
Remote Similarity | 0.6296 | NPC90577 |
Remote Similarity | 0.6296 | NPC151237 |
Remote Similarity | 0.6296 | NPC471314 |
Remote Similarity | 0.6296 | NPC476278 |
Remote Similarity | 0.6296 | NPC471315 |
Remote Similarity | 0.6293 | NPC172128 |
Remote Similarity | 0.6283 | NPC99482 |
Remote Similarity | 0.6281 | NPC98911 |
Remote Similarity | 0.6281 | NPC472318 |
Remote Similarity | 0.6279 | NPC26524 |
Remote Similarity | 0.6277 | NPC29477 |
Remote Similarity | 0.6276 | NPC212850 |
Remote Similarity | 0.6276 | NPC189724 |
Remote Similarity | 0.6276 | NPC83289 |
Remote Similarity | 0.6273 | NPC184030 |
Remote Similarity | 0.6273 | NPC164449 |
Remote Similarity | 0.6271 | NPC23453 |
Remote Similarity | 0.627 | NPC146096 |
Remote Similarity | 0.627 | NPC201959 |
Remote Similarity | 0.626 | NPC19856 |
Remote Similarity | 0.626 | NPC234305 |
Remote Similarity | 0.625 | NPC476241 |
Remote Similarity | 0.625 | NPC476260 |
Remote Similarity | 0.625 | NPC231163 |
Remote Similarity | 0.625 | NPC172984 |
Remote Similarity | 0.625 | NPC166837 |
Remote Similarity | 0.625 | NPC318591 |
Remote Similarity | 0.624 | NPC472316 |
Remote Similarity | 0.624 | NPC474376 |
Remote Similarity | 0.624 | NPC472315 |
Remote Similarity | 0.624 | NPC475203 |
Remote Similarity | 0.6232 | NPC8058 |
Remote Similarity | 0.6231 | NPC471318 |
Remote Similarity | 0.623 | NPC42211 |
Remote Similarity | 0.6228 | NPC93843 |
Remote Similarity | 0.6222 | NPC26285 |
Remote Similarity | 0.622 | NPC158854 |
Remote Similarity | 0.6218 | NPC58674 |
Remote Similarity | 0.6216 | NPC117180 |
Remote Similarity | 0.6212 | NPC476266 |
Remote Similarity | 0.6212 | NPC45794 |
Remote Similarity | 0.621 | NPC85977 |
Remote Similarity | 0.621 | NPC241224 |
Remote Similarity | 0.6204 | NPC476125 |
Remote Similarity | 0.6204 | NPC476179 |
Remote Similarity | 0.6204 | NPC33402 |
Remote Similarity | 0.6202 | NPC153795 |
Remote Similarity | 0.6202 | NPC265002 |
Remote Similarity | 0.6202 | NPC290353 |
Remote Similarity | 0.6202 | NPC42911 |
Remote Similarity | 0.6197 | NPC139335 |
Remote Similarity | 0.619 | NPC186469 |
Remote Similarity | 0.619 | NPC472314 |
Remote Similarity | 0.619 | NPC475465 |
Remote Similarity | 0.6186 | NPC321956 |
Remote Similarity | 0.6186 | NPC128645 |
Remote Similarity | 0.6176 | NPC475692 |
Remote Similarity | 0.6174 | NPC211237 |
Remote Similarity | 0.6174 | NPC198747 |
Remote Similarity | 0.6172 | NPC2682 |
Remote Similarity | 0.6172 | NPC475852 |
Remote Similarity | 0.6167 | NPC21959 |
Remote Similarity | 0.6167 | NPC26244 |
Remote Similarity | 0.6165 | NPC254233 |
Remote Similarity | 0.6161 | NPC121478 |
Remote Similarity | 0.6161 | NPC73637 |
Remote Similarity | 0.616 | NPC269457 |
Remote Similarity | 0.616 | NPC470393 |
Remote Similarity | 0.616 | NPC42383 |
Remote Similarity | 0.6159 | NPC136112 |
Remote Similarity | 0.6159 | NPC320242 |
Remote Similarity | 0.6159 | NPC141739 |
Remote Similarity | 0.6154 | NPC165106 |
Remote Similarity | 0.6154 | NPC1986 |
Remote Similarity | 0.6154 | NPC35344 |
Remote Similarity | 0.6154 | NPC474544 |
Remote Similarity | 0.6154 | NPC141003 |
Remote Similarity | 0.6148 | NPC216468 |
Remote Similarity | 0.6148 | NPC471576 |
Remote Similarity | 0.6148 | NPC325497 |
Remote Similarity | 0.6148 | NPC51333 |
Remote Similarity | 0.6148 | NPC132078 |
Remote Similarity | 0.6148 | NPC78119 |
Remote Similarity | 0.6148 | NPC118343 |
Remote Similarity | 0.6143 | NPC283079 |
Remote Similarity | 0.6142 | NPC469636 |
Remote Similarity | 0.6142 | NPC75440 |
Remote Similarity | 0.6142 | NPC97811 |
Remote Similarity | 0.614 | NPC3210 |
Remote Similarity | 0.6136 | NPC9341 |
Remote Similarity | 0.6136 | NPC81067 |
Remote Similarity | 0.6131 | NPC285394 |
Remote Similarity | 0.6131 | NPC475691 |
Remote Similarity | 0.6129 | NPC474365 |
Remote Similarity | 0.6129 | NPC12870 |
Remote Similarity | 0.6129 | NPC24327 |
Remote Similarity | 0.6129 | NPC301943 |
Remote Similarity | 0.6127 | NPC118419 |
Remote Similarity | 0.6124 | NPC234376 |
Remote Similarity | 0.6116 | NPC270654 |
Remote Similarity | 0.6116 | NPC473388 |
Remote Similarity | 0.6115 | NPC218323 |
Remote Similarity | 0.6111 | NPC189371 |
TTD   | |
DrugBank   | DB09007 |
ChEMBL   | CHEMBL2110774 |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | D07198 |
PubChem CID   | |
ChEBI   | 135288 |
CAS Number   | 77-38-3 |
Molecular Weight   | 303.14 |
ALogP   | 0.9858 |
MLogP   | 3.11 |
XLogP   | 5.606 |
HDA   | 2 |
HBD   | 0 |
Rotatable Bonds   | 10 |
TPSA   | 12.47 |
RO5 Violation   | 1 |