Molecular Properties | |
SMILES: | CC#Cc1cccc(CN2CCN(C(C)=O)CC2)c1 |
MW: | 256.349 |
Fraction sp3: | 0.44 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 23.55 |
cLogP: | 1.7221 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
triple bond
PAT-UNK-b2d83456-1
0.679
MAT-POS-ee51dedd-1
0.485
PAT-UNK-b2d83456-3
0.485
JAN-GHE-1d98ec1c-2
0.478
WIL-LEE-23e8b574-3
0.478
JAN-GHE-fd8d85a5-9
0.465
JAN-GHE-1d98ec1c-8
0.464
JOH-UNI-23d9e1b1-1
0.446
JOH-UNI-0e1753c1-2
0.438
MAK-UNK-6ca90168-13
0.424
AHN-SAT-02ef6d10-10
0.424
AAR-POS-d2a4d1df-35
0.415
MED-COV-4280ac29-15
0.415
HYO-UNK-49a60884-1
0.415
JOH-UNI-0e1753c1-3
0.415
MAK-UNK-6435e6c2-3
0.410
AAR-POS-d2a4d1df-24
0.409
JAN-GHE-fd8d85a5-2
0.405
DRR-IMP-38dce17f-2
0.403
JOH-UNI-0e1753c1-1
0.400
KIM-UNI-2ee5d8f9-1
0.391
JOK-SYG-18591e8f-1
0.386
MAK-UNK-6435e6c2-2
0.381
SEA-TRI-f93fcab4-1
0.381
JAN-GHE-1d98ec1c-1
0.378
VIT-UNK-2a0afa28-3
0.378
BEN-VAN-c986b20b-10
0.377
BEN-VAN-c986b20b-17
0.377
ERI-UCB-a0b0dbcb-14
0.376
JAN-GHE-1d98ec1c-4
0.368
JAN-GHE-1d98ec1c-3
0.368
WIL-LEE-23e8b574-2
0.368
WIL-LEE-23e8b574-4
0.368
KIM-UNI-7d12df64-2
0.360
BEN-VAN-c986b20b-3
0.359
BEN-VAN-c986b20b-16
0.359
BEN-VAN-c986b20b-2
0.359
BEN-VAN-c986b20b-1
0.354
BEN-VAN-c986b20b-15
0.354
MAK-UNK-af83ef51-10
0.351
JAN-GHE-fd8d85a5-8
0.351
BEN-VAN-c986b20b-4
0.346
BEN-VAN-c986b20b-5
0.346
SAD-SAT-1f400d17-1
0.338
JAN-GHE-fd8d85a5-10
0.338
MAK-UNK-176ca439-2
0.337
KIM-UNI-7d12df64-3
0.333
SEA-TRI-146a67b6-1
0.333
MAK-UNK-849bee6c-7
0.333
MAK-UNK-849bee6c-14
0.333
VIT-UNK-cff011c0-2
0.333
MAK-UNK-cd94b63c-1
0.329
MAK-UNK-849bee6c-9
0.329
MAK-UNK-176ca439-3
0.329
JAN-GHE-fd8d85a5-1
0.329
WIL-LEE-23e8b574-1
0.328
VIT-UNK-2a0afa28-1
0.326
MIH-UNI-6b9ca91a-9
0.325
JOH-UNK-14e6adc5-8
0.325
JAN-GHE-1d98ec1c-6
0.325
SAD-SAT-5b1897b2-5
0.324
DRR-IMP-38dce17f-3
0.323
MAK-UNK-7c9d1431-24
0.323
MAK-UNK-10dfa458-14
0.322
MAK-UNK-849bee6c-6
0.322
KIM-UNI-7d12df64-1
0.320
MAK-UNK-af83ef51-11
0.319
MAK-UNK-176ca439-4
0.318
MAK-UNK-3c359d2a-1
0.318
ERI-UCB-a0b0dbcb-12
0.318
SEA-TRI-9e600f3c-1
0.318
JAN-GHE-fd8d85a5-3
0.316
SEA-TRI-ec70a9dd-1
0.314
NIM-UNI-02269248-3
0.313
JOH-UNK-14e6adc5-7
0.312
MAK-UNK-849bee6c-8
0.311
MAK-UNK-849bee6c-4
0.310
MAK-UNK-849bee6c-12
0.310
MAK-UNK-849bee6c-16
0.310
JAN-GHE-fd8d85a5-12
0.310
SAD-SAT-b55127ae-4
0.310
TAM-UNI-d1c3dd9f-12
0.310
BEN-VAN-d8fd1356-21
0.308
MAK-UNK-849bee6c-13
0.308
MAK-UNK-849bee6c-5
0.307
SAD-SAT-2ceae68f-8
0.307
ERI-UCB-a0b0dbcb-13
0.304
MAK-UNK-849bee6c-15
0.304
MAK-UNK-10dfa458-45
0.304
VLA-UCB-05e51b3f-3
0.304
ERI-UCB-a0b0dbcb-11
0.304
JOO-IND-6372a4f3-5
0.304
JAN-GHE-1d98ec1c-9
0.304
JOH-IMS-1436231f-6
0.303
AAR-POS-0daf6b7e-29
0.303
ANT-OPE-c0c3e7cc-1
0.301
WIL-LEE-23e8b574-7
0.301
JOO-PER-74f994a9-1
0.300
MAK-UNK-6ca90168-14
0.300
DAN-LON-a5fc619e-4
0.300