Drug ID:   | NPD266 |
Drug Name:   | Seletracetam |
Molecular Formula:   | C10H14F2N2O2 |
Canonical SMILES:   | CC[C@H](N1CC(CC1=O)C=C(F)F)C(=N)O |
Standard InCHI:   | InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6?,7-/m0/s1 |
Standard InCHIKey:   | ANWPENAPCIFDSZ-MLWJPKLSSA-N |
Max Developmental Stage:   | Phase 3 |
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 |
---|---|---|
Remote Similarity | 0.6582 | NPC196007 |
Remote Similarity | 0.6582 | NPC76297 |
Remote Similarity | 0.6582 | NPC214532 |
Remote Similarity | 0.642 | NPC266888 |
Remote Similarity | 0.642 | NPC209156 |
Remote Similarity | 0.642 | NPC161774 |
Remote Similarity | 0.642 | NPC256312 |
Remote Similarity | 0.617 | NPC38172 |
Remote Similarity | 0.6154 | NPC128005 |
Remote Similarity | 0.6154 | NPC84182 |
Remote Similarity | 0.6047 | NPC312315 |
Remote Similarity | 0.6023 | NPC184473 |
Remote Similarity | 0.6023 | NPC6902 |
Remote Similarity | 0.602 | NPC475758 |
Remote Similarity | 0.596 | NPC475791 |
Remote Similarity | 0.596 | NPC13175 |
Remote Similarity | 0.5952 | NPC327272 |
Remote Similarity | 0.5909 | NPC470783 |
Remote Similarity | 0.5862 | NPC31756 |
Remote Similarity | 0.5844 | NPC314510 |
Remote Similarity | 0.5843 | NPC284456 |
Remote Similarity | 0.5842 | NPC471097 |
Remote Similarity | 0.5842 | NPC475149 |
Remote Similarity | 0.5806 | NPC324506 |
Remote Similarity | 0.5795 | NPC476117 |
Remote Similarity | 0.5795 | NPC476243 |
Remote Similarity | 0.5795 | NPC476156 |
Remote Similarity | 0.5795 | NPC476137 |
Remote Similarity | 0.5784 | NPC476877 |
Remote Similarity | 0.5775 | NPC204607 |
Remote Similarity | 0.5769 | NPC243964 |
Remote Similarity | 0.5732 | NPC322274 |
Remote Similarity | 0.573 | NPC23984 |
Remote Similarity | 0.573 | NPC476302 |
Remote Similarity | 0.5673 | NPC476876 |
Remote Similarity | 0.5667 | NPC53858 |
Remote Similarity | 0.5667 | NPC84128 |
Remote Similarity | 0.5647 | NPC126186 |
Remote Similarity | 0.5638 | NPC473495 |
Remote Similarity | 0.5632 | NPC59867 |
Remote Similarity | 0.561 | NPC250953 |
Remote Similarity | 0.5604 | NPC235078 |
Molecular Weight   | 232.10 |
ALogP   | -0.4952 |
MLogP   | 1.9 |
XLogP   | 0.958 |
HDA   | 4 |
HBD   | 2 |
Rotatable Bonds   | 8 |
TPSA   | 64.39 |
RO5 Violation   | 0 |