Molecular Properties | |
SMILES: | CC(=O)NCCc1ccc(CN2CCN(C(C)=O)CC2)cc1 |
MW: | 303.406 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 52.65 |
cLogP: | 1.0293 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
WIL-LEE-23e8b574-3
0.600
WIL-LEE-23e8b574-4
0.579
ANT-DIA-b7f58f21-4
0.434
MAK-UNK-6435e6c2-3
0.431
PAT-UNK-b2d83456-4
0.427
TAM-UNI-d1c3dd9f-19
0.412
KIM-UNI-2ee5d8f9-1
0.410
KIM-UNI-7d12df64-3
0.409
JOH-MSK-d60b0211-1
0.405
PAT-UNK-b2d83456-5
0.405
SEL-UNI-cd366922-8
0.402
MAK-UNK-6435e6c2-2
0.400
MAK-UNK-7c9d1431-29
0.400
VIC-UNI-33d4332f-1
0.392
JIA-UNI-93b03cae-1
0.385
PAT-UNK-b2d83456-1
0.379
MAK-UNK-6ca90168-14
0.375
DRR-IMP-38dce17f-7
0.375
WIL-LEE-23e8b574-7
0.373
KIM-UNI-7d12df64-1
0.371
JAN-GHE-1d98ec1c-2
0.371
SAD-SAT-1f400d17-6
0.371
TAM-UNI-d1c3dd9f-20
0.370
MAK-UNK-7c9d1431-21
0.368
PAT-UNK-b2d83456-2
0.368
ANT-OPE-d972fbad-1
0.365
JAN-GHE-1d98ec1c-3
0.365
DUN-NEW-f8ce3686-24
0.361
DRR-IMP-38dce17f-3
0.361
MAK-UNK-7c9d1431-24
0.361
PAT-UNK-b2d83456-3
0.357
JOK-SYG-b9f02a42-2
0.356
JAN-GHE-1d98ec1c-1
0.356
BEN-VAN-c986b20b-10
0.355
BEN-VAN-c986b20b-3
0.355
BEN-VAN-c986b20b-17
0.355
BEN-VAN-c986b20b-16
0.355
JAN-GHE-fd8d85a5-10
0.352
MAK-UNK-176ca439-2
0.349
DRR-IMP-38dce17f-6
0.349
JAN-GHE-1d98ec1c-4
0.347
JAN-GHE-fd8d85a5-3
0.347
JAN-GHE-6413aaf8-5
0.345
DAR-DIA-fb20be43-10
0.345
JAN-GHE-1d98ec1c-8
0.342
BEN-VAN-c986b20b-5
0.342
JOH-UNI-23d9e1b1-1
0.338
KIM-UNI-7d12df64-2
0.338
BEN-VAN-c986b20b-2
0.338
DAR-DIA-fb20be43-13
0.337
SAD-SAT-1f400d17-1
0.333
BEN-VAN-c986b20b-15
0.333
JOK-SYG-b9f02a42-1
0.333
BEN-VAN-c986b20b-1
0.333
BEN-DND-6de5dfa0-19
0.333
NAU-LAT-f723e322-1
0.329
STU-CHA-bc0a9883-1
0.329
DAR-DIA-fb20be43-15
0.329
DAR-DIA-fb20be43-11
0.329
JOK-SYG-302da050-1
0.329
TAM-UNI-d1c3dd9f-16
0.329
JAN-GHE-fd8d85a5-8
0.329
JAN-GHE-fd8d85a5-9
0.329
DRR-IMP-38dce17f-4
0.328
BEN-VAN-c986b20b-4
0.325
JOH-UNK-14e6adc5-7
0.324
JAN-GHE-fd8d85a5-1
0.324
SIM-DEM-5935bd74-4
0.324
BEN-DND-6de5dfa0-26
0.324
AAR-POS-d2a4d1df-24
0.324
JOK-SYG-b9f02a42-3
0.322
NIM-UNI-ed9fc491-2
0.321
MAR-TRE-a9136c7b-89
0.321
TAM-UNI-d1c3dd9f-18
0.321
SAD-SAT-5b1897b2-5
0.319
DRR-IMP-38dce17f-2
0.319
DAR-DIA-fb20be43-14
0.318
AAR-POS-0daf6b7e-13
0.318
MAK-UNK-212f693e-8
0.318
LON-WEI-8f408cad-7
0.318
ISA-SCH-8e98219b-2
0.314
MAK-UNK-212f693e-6
0.312
NAU-LAT-f723e322-2
0.310
MAR-LAB-ca4662a6-2
0.309
MED-COV-4280ac29-15
0.309
JOH-UNI-0e1753c1-3
0.309
AAR-POS-d2a4d1df-35
0.309
HYO-UNK-49a60884-1
0.309
JOH-UNI-0e1753c1-2
0.309
HEI-REL-0c990a45-5
0.309
STE-UNK-13e151dd-1
0.308
PAU-UNI-8cdd41c7-1
0.308
BEN-VAN-d8fd1356-20
0.308
MAK-UNK-af83ef51-14
0.307
JOK-SYG-18591e8f-1
0.306
MIH-UNI-6b9ca91a-9
0.305
SAD-SAT-581007d4-7
0.304
SAD-SAT-581007d4-1
0.304
SAD-SAT-581007d4-2
0.304
MAK-UNK-7c9d1431-20
0.304