Molecular Properties | |
SMILES: | C[C@H]1CO[C@H](CO)CN1Cc1cccc(CN2CCOCC2)c1 |
MW: | 320.21 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.17 |
cLogP: | 1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-29
JOH-IMS-1436231f-2
0.600
SAD-SAT-7d5528d9-16
0.417
SAD-SAT-7d5528d9-2
0.404
SAD-SAT-7d5528d9-8
0.402
JOH-IMS-1436231f-6
0.400
AAR-POS-0daf6b7e-29
0.400
JOH-ILL-da934517-3
0.395
SAD-SAT-7d5528d9-1
0.393
SAD-SAT-7d5528d9-19
0.383
JOH-ILL-da934517-4
0.376
JOH-ILL-98f23d0b-3
0.353
SAD-SAT-7d5528d9-22
0.352
MAK-UNK-748f8b7a-9
0.349
MAK-UNK-748f8b7a-13
0.349
SAD-SAT-7d5528d9-3
0.344
JAR-KUA-672ec752-7
0.341
SAD-SAT-7d5528d9-9
0.341
SAD-SAT-7d5528d9-31
0.333
MAK-UNK-987948f6-12
0.330
MAK-UNK-987948f6-11
0.330
JOH-ILL-da934517-2
0.326
JOH-IMS-cc7b4c67-4
0.323
AAR-POS-0daf6b7e-30
0.321
SAD-SAT-7d5528d9-14
0.316
TAM-UNI-d1c3dd9f-12
0.312
MAK-UNK-987948f6-10
0.309
MAK-UNK-10799360-19
0.294
WIL-LEE-23e8b574-3
0.291
JOK-SYG-18591e8f-1
0.282
VIT-UNK-2a0afa28-3
0.281
JAN-GHE-1d98ec1c-2
0.276
JOO-PER-74f994a9-1
0.272
JUL-TUD-06b2044f-147
0.271
PAT-UNK-b2d83456-2
0.271
AAR-POS-d2a4d1df-24
0.265
AHN-SAT-02ef6d10-10
0.262
JOH-UNI-23d9e1b1-1
0.262
DRR-IMP-38dce17f-2
0.262
ASH-SAT-43770c7d-3
0.261
MAK-UNK-849bee6c-9
0.260
SAD-SAT-7d5528d9-6
0.260
MAK-UNK-af83ef51-11
0.259
MED-COV-4280ac29-13
0.258
SAD-SAT-7d5528d9-7
0.257
JOH-UNI-0e1753c1-3
0.253
HYO-UNK-49a60884-1
0.253
MED-COV-4280ac29-15
0.253
AAR-POS-d2a4d1df-35
0.253
PAT-UNK-b2d83456-3
0.250
SAD-SAT-24589cd1-6
0.248
JAR-KUA-672ec752-1
0.248
BAR-COM-0f94fc3d-33
0.248
VIT-UNK-2a0afa28-1
0.248
SAD-SAT-135344c3-9
0.248
SAD-SAT-7d5528d9-21
0.247
PAT-UNK-b2d83456-1
0.247
MAK-UNK-6ca90168-13
0.247
MAK-UNK-10dfa458-14
0.245
MAK-UNK-3c359d2a-1
0.243
MAK-UNK-e4a48a85-7
0.243
SAD-SAT-7d5528d9-35
0.243
MAK-UNK-176ca439-4
0.243
MAK-UNK-a7992eb3-20
0.243
JAN-GHE-1d98ec1c-8
0.242
DAR-DIA-43a5904b-16
0.241
VIT-UNK-2a0afa28-2
0.240
JOH-UNI-27ac80fd-10
0.239
JOH-UNI-0e1753c1-2
0.238
UNK-UNK-2ede4078-98
0.238
MAK-UNK-849bee6c-8
0.238
SAD-SAT-7d5528d9-13
0.238
MAK-UNK-849bee6c-7
0.237
VIT-UNK-cff011c0-2
0.237
JOH-UNI-27ac80fd-5
0.236
JOH-UNI-0e1753c1-1
0.236
MAT-POS-ee51dedd-1
0.236
MAR-TRE-fd17a9b8-36
0.236
MAR-TRE-dab8f6ea-37
0.235
MAK-UNK-cd94b63c-1
0.235
MAK-UNK-176ca439-3
0.235
SAD-SAT-7d5528d9-18
0.235
MAK-UNK-748f8b7a-11
0.235
DAN-LON-a5fc619e-4
0.234
MAK-UNK-9955b1f3-4
0.234
JUL-TUD-06b2044f-85
0.234
MAK-UNK-6435e6c2-9
0.232
AAR-POS-0daf6b7e-26
0.232
SAD-SAT-7d5528d9-24
0.232
MAR-TRE-3e4e6814-16
0.231
MAK-UNK-3f402c2b-3
0.231
FRA-BIO-8bf1eac9-4
0.229
SAD-SAT-c989feaa-3
0.229
MAR-TRE-c317dd82-81
0.229
VIT-UNK-cff011c0-1
0.229
JOH-UNI-27ac80fd-8
0.228
JOH-UNI-27ac80fd-9
0.228
DAN-LON-a5fc619e-1
0.228
MAR-TRE-3724962b-31
0.228
MAR-TRE-ebcc4ad6-39
0.228
MAK-UNK-849bee6c-14
0.228