Molecular Properties | |
SMILES: | COC(=O)C1CC(Cc2cccc(C#N)c2)CCN1C(=O)CCl |
MW: | 334.11 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 70.4 |
cLogP: | 2.12 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Ester
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-9
0.699
MAK-UNK-af83ef51-7
0.582
MAK-UNK-10dfa458-40
0.553
MAK-UNK-10dfa458-41
0.532
MAK-UNK-af83ef51-5
0.512
MAK-UNK-10dfa458-12
0.471
MAT-POS-ee51dedd-1
0.386
SAD-SAT-c989feaa-2
0.365
MAK-UNK-af83ef51-6
0.357
MAK-UNK-af83ef51-8
0.345
PAT-UNK-b2d83456-1
0.337
WAR-XCH-bdd24732-19
0.330
TAT-ENA-80bfd3e5-10
0.326
MAK-UNK-ec98eaf6-51
0.314
DAR-DIA-3e9bbd81-11
0.312
MAK-UNK-ec98eaf6-53
0.308
MIC-UNK-df342a3f-2
0.308
AAR-UNI-c25c2f1e-56
0.305
MIC-UNK-2744a8e2-1
0.302
SAD-SAT-24589cd1-9
0.302
DRA-CSI-47e38074-3
0.301
TRY-UNI-9f475305-6
0.301
MIC-UNK-df342a3f-1
0.301
NIR-THE-0d6461ce-6
0.299
MIH-UNI-6b9ca91a-5
0.298
MAK-UNK-ec98eaf6-21
0.297
DAR-DIA-3e9bbd81-7
0.297
PAU-WEI-b9b69149-4
0.297
MAK-UNK-ec98eaf6-40
0.297
NIM-UNI-310206f0-35
0.295
DAN-MCD-02570321-1
0.294
PAU-WEI-b9b69149-6
0.288
MAK-UNK-10799360-22
0.287
MAK-UNK-ec98eaf6-52
0.286
ANN-UNI-26382800-5
0.286
DAR-DIA-3e9bbd81-2
0.284
MAK-UNK-10dfa458-10
0.284
MAR-TRE-6a44bbf2-99
0.281
SAD-SAT-24589cd1-8
0.281
MAK-UNK-3f402c2b-13
0.281
TRY-UNI-714a760b-19
0.281
TAM-UNI-d1c3dd9f-17
0.281
MIC-UNK-e8a42ca9-2
0.280
NIR-THE-c331be7a-2
0.278
DAR-DIA-fb20be43-3
0.278
MAK-UNK-849bee6c-14
0.277
DAR-DIA-fb20be43-6
0.276
JOR-UNI-61e7b1d5-22
0.275
SEA-TRI-ec70a9dd-1
0.275
TRY-UNI-714a760b-20
0.274
DAN-LON-a5fc619e-4
0.274
MAR-TRE-14ce9fd6-25
0.273
MIC-UNK-e8a42ca9-1
0.273
NIR-THE-0d6461ce-7
0.273
SAD-SAT-29425be4-9
0.272
MED-COV-4280ac29-13
0.272
MAK-UNK-987948f6-9
0.272
MAK-UNK-748f8b7a-6
0.271
MAK-UNK-6ca90168-14
0.271
DRR-IMP-38dce17f-7
0.271
TRY-UNI-1fd04853-6
0.270
SAD-SAT-24589cd1-10
0.269
PAU-WEI-b9b69149-5
0.269
DAR-DIA-3e9bbd81-8
0.269
JOR-UNI-61e7b1d5-5
0.269
TAM-UNI-d1c3dd9f-18
0.268
SWA-SYN-6423ea73-7
0.267
NIR-THE-0d6461ce-8
0.267
SWA-SYN-d2e6fa14-7
0.267
MAC-MCD-4707377b-1
0.266
DAR-DIA-3e9bbd81-13
0.265
SAD-SAT-89668ff1-2
0.265
JOR-UNI-61e7b1d5-9
0.265
ERI-UCB-a0b0dbcb-14
0.264
JOR-UNI-61e7b1d5-24
0.264
MAK-UNK-3f402c2b-2
0.263
SAD-SAT-24589cd1-5
0.263
RAL-THA-2d450e86-12
0.263
SAD-SAT-24589cd1-1
0.263
SAD-SAT-24589cd1-3
0.263
AAR-POS-d2a4d1df-37
0.261
MAR-TRE-6a44bbf2-7
0.261
MAK-UNK-af83ef51-19
0.261
TAM-UNI-d1c3dd9f-16
0.260
MAK-UNK-ec98eaf6-10
0.260
MAK-UNK-ec98eaf6-37
0.260
SAD-SAT-24589cd1-6
0.259
JOR-UNI-61e7b1d5-12
0.259
MAK-UNK-ec98eaf6-15
0.259
DRR-IMP-dff87f5e-9
0.258
MAK-UNK-3f402c2b-3
0.258
MAK-UNK-987948f6-8
0.258
MAK-UNK-69bf97dd-1
0.257
JOR-UNI-61e7b1d5-3
0.257
JOR-UNI-61e7b1d5-14
0.257
JOR-UNI-61e7b1d5-28
0.257
DRA-CSI-47e38074-4
0.256
MAK-UNK-10dfa458-11
0.255
VIK-SYN-9a3d118a-8
0.255
PEI-IMP-ca0b2813-3
0.255