Drug ID:   | NPD6245 |
Drug Name:   | Mk-6913 |
Molecular Formula:   | C25H27N3O2 |
Canonical SMILES:   | O=C1CC[C@@]2(C(=C1)c1ccc3c(c1C2)nnn3C(C)(C)C)CCOc1ccccc1 |
Standard InCHI:   | InChI=1S/C25H27N3O2/c1-24(2,3)28-22-10-9-19-20(23(22)26-27-28)16-25(12-11-17(29)15-21(19)25)13-14-30-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3/t25-/m1/s1 |
Standard InCHIKey:   | LYLIIGQPIKTONH-RUZDIDTESA-N |
Max Developmental Stage:   | Phase 2 |
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 | 0.7339 | NPC280799 |
Intermediate Similarity | 0.7136 | NPC225279 |
Intermediate Similarity | 0.713 | NPC264176 |
Intermediate Similarity | 0.7104 | NPC198503 |
Intermediate Similarity | 0.7089 | NPC45190 |
Intermediate Similarity | 0.7062 | NPC470586 |
Intermediate Similarity | 0.7059 | NPC323969 |
Intermediate Similarity | 0.7056 | NPC249583 |
Intermediate Similarity | 0.7051 | NPC472098 |
Intermediate Similarity | 0.7031 | NPC26850 |
Intermediate Similarity | 0.7009 | NPC300156 |
Intermediate Similarity | 0.7004 | NPC474688 |
Intermediate Similarity | 0.7 | NPC72211 |
Remote Similarity | 0.6996 | NPC144452 |
Remote Similarity | 0.6981 | NPC476044 |
Remote Similarity | 0.6977 | NPC4687 |
Remote Similarity | 0.6959 | NPC471304 |
Remote Similarity | 0.6948 | NPC295898 |
Remote Similarity | 0.6943 | NPC329631 |
Remote Similarity | 0.6927 | NPC187501 |
Remote Similarity | 0.6926 | NPC6786 |
Remote Similarity | 0.6916 | NPC223427 |
Remote Similarity | 0.6912 | NPC201697 |
Remote Similarity | 0.6906 | NPC86078 |
Remote Similarity | 0.6906 | NPC472099 |
Remote Similarity | 0.6905 | NPC70259 |
Remote Similarity | 0.69 | NPC312872 |
Remote Similarity | 0.6895 | NPC310211 |
Remote Similarity | 0.6895 | NPC308137 |
Remote Similarity | 0.6895 | NPC38237 |
Remote Similarity | 0.6881 | NPC470020 |
Remote Similarity | 0.6881 | NPC199667 |
Remote Similarity | 0.6875 | NPC26872 |
Remote Similarity | 0.6866 | NPC82548 |
Remote Similarity | 0.6857 | NPC205934 |
Remote Similarity | 0.6857 | NPC43787 |
Remote Similarity | 0.6854 | NPC11017 |
Remote Similarity | 0.6849 | NPC87413 |
Remote Similarity | 0.6842 | NPC274640 |
Remote Similarity | 0.6837 | NPC162484 |
Remote Similarity | 0.6835 | NPC174758 |
Remote Similarity | 0.6835 | NPC473181 |
Remote Similarity | 0.683 | NPC150239 |
Remote Similarity | 0.6828 | NPC470018 |
Remote Similarity | 0.6824 | NPC101350 |
Remote Similarity | 0.682 | NPC314297 |
Remote Similarity | 0.682 | NPC315545 |
Remote Similarity | 0.6818 | NPC48353 |
Remote Similarity | 0.6818 | NPC473180 |
Remote Similarity | 0.6816 | NPC96321 |
Remote Similarity | 0.6816 | NPC473041 |
Remote Similarity | 0.6814 | NPC122436 |
Remote Similarity | 0.6814 | NPC118776 |
Remote Similarity | 0.6804 | NPC269367 |
Remote Similarity | 0.6802 | NPC148183 |
Remote Similarity | 0.6802 | NPC152768 |
Remote Similarity | 0.6798 | NPC74575 |
Remote Similarity | 0.6791 | NPC475085 |
Remote Similarity | 0.6791 | NPC475112 |
Remote Similarity | 0.6791 | NPC291535 |
Remote Similarity | 0.6789 | NPC470931 |
Remote Similarity | 0.6789 | NPC287208 |
Remote Similarity | 0.6787 | NPC39500 |
Remote Similarity | 0.6781 | NPC235685 |
Remote Similarity | 0.6774 | NPC313345 |
Remote Similarity | 0.6774 | NPC313796 |
Remote Similarity | 0.6774 | NPC476106 |
Remote Similarity | 0.6774 | NPC315638 |
Remote Similarity | 0.6774 | NPC314855 |
Remote Similarity | 0.6773 | NPC9894 |
Remote Similarity | 0.6771 | NPC169402 |
Remote Similarity | 0.6771 | NPC305984 |
Remote Similarity | 0.6766 | NPC475844 |
Remote Similarity | 0.6763 | NPC204385 |
Remote Similarity | 0.6763 | NPC90415 |
Remote Similarity | 0.6758 | NPC174672 |
Remote Similarity | 0.6758 | NPC284102 |
Remote Similarity | 0.6757 | NPC116238 |
Remote Similarity | 0.6754 | NPC227908 |
Remote Similarity | 0.6753 | NPC473186 |
Remote Similarity | 0.6753 | NPC49547 |
Remote Similarity | 0.6749 | NPC283152 |
Remote Similarity | 0.6744 | NPC267423 |
Remote Similarity | 0.6743 | NPC193777 |
Remote Similarity | 0.6742 | NPC474428 |
Remote Similarity | 0.6741 | NPC247803 |
Remote Similarity | 0.6741 | NPC46561 |
Remote Similarity | 0.6732 | NPC206201 |
Remote Similarity | 0.6731 | NPC21425 |
Remote Similarity | 0.6727 | NPC314834 |
Remote Similarity | 0.6714 | NPC70956 |
Remote Similarity | 0.6714 | NPC267928 |
Remote Similarity | 0.6714 | NPC243834 |
Remote Similarity | 0.6712 | NPC470280 |
Remote Similarity | 0.6711 | NPC208084 |
Remote Similarity | 0.67 | NPC56618 |
Remote Similarity | 0.6699 | NPC242928 |
Remote Similarity | 0.6699 | NPC243058 |
Remote Similarity | 0.6697 | NPC208284 |
Remote Similarity | 0.6696 | NPC216612 |
Remote Similarity | 0.6695 | NPC39370 |
Remote Similarity | 0.6682 | NPC16066 |
Remote Similarity | 0.6681 | NPC132329 |
Remote Similarity | 0.6667 | NPC303658 |
Remote Similarity | 0.6667 | NPC473187 |
Remote Similarity | 0.6667 | NPC51388 |
Remote Similarity | 0.6667 | NPC322482 |
Remote Similarity | 0.6667 | NPC184408 |
Remote Similarity | 0.6667 | NPC124300 |
Remote Similarity | 0.6667 | NPC203635 |
Remote Similarity | 0.6652 | NPC60621 |
Remote Similarity | 0.6652 | NPC157931 |
Remote Similarity | 0.6652 | NPC187145 |
Remote Similarity | 0.6652 | NPC274982 |
Remote Similarity | 0.6651 | NPC314648 |
Remote Similarity | 0.6651 | NPC475190 |
Remote Similarity | 0.6639 | NPC291609 |
Remote Similarity | 0.6638 | NPC472061 |
Remote Similarity | 0.6638 | NPC474701 |
Remote Similarity | 0.6638 | NPC21638 |
Remote Similarity | 0.6637 | NPC476287 |
Remote Similarity | 0.6636 | NPC39679 |
Remote Similarity | 0.6623 | NPC194740 |
Remote Similarity | 0.6623 | NPC252251 |
Remote Similarity | 0.6623 | NPC471762 |
Remote Similarity | 0.6622 | NPC293151 |
Remote Similarity | 0.6621 | NPC472111 |
Remote Similarity | 0.662 | NPC131017 |
Remote Similarity | 0.662 | NPC176538 |
Remote Similarity | 0.6619 | NPC110741 |
Remote Similarity | 0.6618 | NPC176127 |
Remote Similarity | 0.661 | NPC131486 |
Remote Similarity | 0.6608 | NPC174760 |
Remote Similarity | 0.6603 | NPC160381 |
Remote Similarity | 0.6603 | NPC194040 |
Remote Similarity | 0.6596 | NPC470017 |
Remote Similarity | 0.6591 | NPC53344 |
Remote Similarity | 0.659 | NPC232727 |
Remote Similarity | 0.6587 | NPC84478 |
Remote Similarity | 0.6584 | NPC477888 |
Remote Similarity | 0.6583 | NPC177404 |
Remote Similarity | 0.6583 | NPC310618 |
Remote Similarity | 0.6581 | NPC141053 |
Remote Similarity | 0.658 | NPC257851 |
Remote Similarity | 0.658 | NPC478078 |
Remote Similarity | 0.6579 | NPC310118 |
Remote Similarity | 0.6577 | NPC167860 |
Remote Similarity | 0.6577 | NPC123976 |
Remote Similarity | 0.6575 | NPC470930 |
Remote Similarity | 0.6574 | NPC18487 |
Remote Similarity | 0.6574 | NPC128823 |
Remote Similarity | 0.6573 | NPC198673 |
Remote Similarity | 0.657 | NPC165964 |
Remote Similarity | 0.6568 | NPC470022 |
Remote Similarity | 0.6567 | NPC477531 |
Remote Similarity | 0.6567 | NPC260434 |
Remote Similarity | 0.6565 | NPC179287 |
Remote Similarity | 0.6565 | NPC473449 |
Remote Similarity | 0.6564 | NPC298436 |
Remote Similarity | 0.6562 | NPC324361 |
Remote Similarity | 0.6562 | NPC236668 |
Remote Similarity | 0.6562 | NPC31700 |
Remote Similarity | 0.656 | NPC227824 |
Remote Similarity | 0.6555 | NPC313886 |
Remote Similarity | 0.655 | NPC118511 |
Remote Similarity | 0.6547 | NPC220337 |
Remote Similarity | 0.6544 | NPC329747 |
Remote Similarity | 0.6544 | NPC19872 |
Remote Similarity | 0.6544 | NPC475151 |
Remote Similarity | 0.6543 | NPC67401 |
Remote Similarity | 0.6538 | NPC475720 |
Remote Similarity | 0.6538 | NPC474192 |
Remote Similarity | 0.6537 | NPC84347 |
Remote Similarity | 0.6537 | NPC288943 |
Remote Similarity | 0.6535 | NPC477533 |
Remote Similarity | 0.6535 | NPC128115 |
Remote Similarity | 0.6533 | NPC146976 |
Remote Similarity | 0.6533 | NPC285635 |
Remote Similarity | 0.6532 | NPC469589 |
Remote Similarity | 0.6531 | NPC200743 |
Remote Similarity | 0.653 | NPC476138 |
Remote Similarity | 0.653 | NPC475774 |
Remote Similarity | 0.653 | NPC245816 |
Remote Similarity | 0.6529 | NPC63971 |
Remote Similarity | 0.6529 | NPC91868 |
Remote Similarity | 0.6528 | NPC168911 |
Remote Similarity | 0.6527 | NPC473540 |
Remote Similarity | 0.6524 | NPC209174 |
Remote Similarity | 0.6518 | NPC294620 |
Remote Similarity | 0.6518 | NPC94157 |
Remote Similarity | 0.6515 | NPC72715 |
Remote Similarity | 0.6512 | NPC194967 |
Remote Similarity | 0.6511 | NPC180504 |
Remote Similarity | 0.6509 | NPC471593 |
Remote Similarity | 0.6509 | NPC110151 |
Remote Similarity | 0.6507 | NPC477532 |
Remote Similarity | 0.6505 | NPC219848 |
Remote Similarity | 0.6504 | NPC472589 |
Remote Similarity | 0.6504 | NPC322064 |
Remote Similarity | 0.6502 | NPC475165 |
Molecular Weight   | 401.21 |
ALogP   | 1.2452 |
MLogP   | 3.66 |
XLogP   | 4.792 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 8 |
TPSA   | 57.01 |
RO5 Violation   | 0 |