Molecular Properties | |
SMILES: | C=CC(=O)N1CCC(Cc2cccc(C)c2)CC1 |
MW: | 243.16 |
Fraction sp3: | 0.44 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 20.31 |
cLogP: | 2.96 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-6
0.672
MAK-UNK-10dfa458-11
0.603
MAK-UNK-10dfa458-12
0.565
MAK-UNK-af83ef51-8
0.471
MAK-UNK-af83ef51-5
0.465
AHN-SAT-02ef6d10-3
0.452
MAK-UNK-af83ef51-9
0.446
MAK-UNK-af83ef51-7
0.440
DRA-CSI-47e38074-2
0.424
MAK-UNK-10dfa458-40
0.403
DRA-CSI-47e38074-3
0.400
DRA-CSI-47e38074-12
0.400
AAR-POS-d2a4d1df-24
0.388
MAK-UNK-af83ef51-10
0.387
MAK-UNK-10dfa458-9
0.371
DRA-CSI-47e38074-4
0.371
SAD-SAT-b55127ae-1
0.371
JAN-GHE-4287bd1a-1
0.371
DRA-CSI-47e38074-5
0.371
NIR-THE-0d6461ce-8
0.366
MAK-UNK-10dfa458-7
0.362
AHN-SAT-02ef6d10-10
0.362
MAK-UNK-6ca90168-13
0.362
NIR-THE-0d6461ce-1
0.361
MAK-UNK-212f693e-16
0.359
SAD-SAT-1f400d17-1
0.359
SAD-SAT-b55127ae-7
0.359
JOO-PER-74f994a9-1
0.358
JAG-UCB-ef2c0e8e-8
0.356
SAD-SAT-1f400d17-4
0.354
AAR-POS-fca48359-5
0.352
SAD-SAT-b55127ae-4
0.348
JAG-SYN-9c2cd0bd-3
0.343
BEN-DND-03ad4429-3
0.343
MAK-UNK-10dfa458-5
0.343
DRA-CSI-47e38074-10
0.342
MAK-UNK-212f693e-24
0.338
AHN-SAT-02ef6d10-9
0.338
MAK-UNK-e4a48a85-9
0.338
DRA-CSI-47e38074-14
0.338
MAK-UNK-212f693e-35
0.333
DRA-CSI-47e38074-13
0.333
STU-CHA-83dacf15-2
0.329
SAD-SAT-c989feaa-8
0.329
DRA-CSI-47e38074-11
0.329
DRA-CSI-47e38074-16
0.329
PEI-IMP-3d837503-2
0.328
MAK-UNK-10dfa458-14
0.322
AGN-NEW-c7b24fe3-2
0.321
ANT-OPE-c0c3e7cc-1
0.319
MAK-UNK-af83ef51-11
0.319
SAD-SAT-5b1897b2-4
0.319
MED-COV-4280ac29-14
0.319
SAD-SAT-b55127ae-3
0.317
MAK-UNK-3f402c2b-3
0.316
BEN-DND-03ad4429-7
0.314
MAK-UNK-10dfa458-4
0.314
MAK-UNK-212f693e-34
0.314
JAG-SYN-9c2cd0bd-1
0.314
SAD-SAT-1f400d17-6
0.313
MAK-UNK-6ca90168-12
0.313
STU-CHA-0be58c98-1
0.313
DRA-CSI-47e38074-6
0.312
AHN-SAT-02ef6d10-4
0.312
MAK-UNK-212f693e-32
0.310
SAD-SAT-b55127ae-5
0.310
SAD-SAT-b55127ae-10
0.310
ANT-OPE-d972fbad-1
0.309
DRA-CSI-47e38074-15
0.309
DRA-CSI-47e38074-7
0.309
WAR-XCH-72a8c209-10
0.306
SAD-SAT-1f400d17-9
0.306
MAK-UNK-6ca90168-16
0.305
MAK-UNK-10dfa458-1
0.304
MAK-UNK-e4a48a85-11
0.304
JOO-IND-6372a4f3-4
0.303
SAD-SAT-c989feaa-6
0.301
MAK-UNK-10dfa458-2
0.300
DRA-CSI-47e38074-9
0.298
NIR-THE-0d6461ce-4
0.298
MIH-UNI-e573136b-7
0.296
AHN-SAT-02ef6d10-7
0.295
MAK-UNK-6ca90168-21
0.294
LON-WEI-4d77710c-54
0.293
MAT-POS-b5746674-107
0.293
LON-WEI-5e7d1b3e-54
0.293
MAK-UNK-6ca90168-2
0.293
TOB-UNK-c2aba166-2
0.290
SAD-SAT-1f400d17-10
0.289
SAD-SAT-2ceae68f-8
0.289
STU-CHA-07310c75-1
0.289
MED-COV-4280ac29-4
0.289
SAD-SAT-6b5a89f0-9
0.288
SAD-SAT-581007d4-8
0.288
MED-COV-4280ac29-7
0.287
SAD-SAT-b55127ae-9
0.287
SAD-SAT-2ceae68f-4
0.287
RED-RED-10c9212c-26
0.287
AAR-POS-fca48359-4
0.287
SAD-SAT-29425be4-18
0.287