Molecular Properties | |
SMILES: | C[C@H](OCC1CCCCC1)c1cccc(CN2CCOCC2)c1 |
MW: | 317.24 |
Fraction sp3: | 0.7 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 21.7 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-29
JOH-ILL-da934517-4
0.487
JOH-IMS-0f19a540-8
0.456
JOH-ILL-da934517-3
0.456
JOH-IMS-1436231f-6
0.408
AAR-POS-0daf6b7e-29
0.408
SAD-SAT-7d5528d9-19
0.341
JOH-ILL-da934517-1
0.326
JAR-KUA-672ec752-7
0.319
SAD-SAT-7d5528d9-16
0.315
SAD-SAT-7d5528d9-1
0.312
SAD-SAT-7d5528d9-3
0.309
SAD-SAT-7d5528d9-2
0.309
SAD-SAT-7d5528d9-14
0.309
SAD-SAT-7d5528d9-8
0.305
SAD-SAT-7d5528d9-22
0.301
SAD-SAT-7d5528d9-31
0.299
MAK-UNK-987948f6-11
0.295
SAD-SAT-7d5528d9-9
0.292
JOH-IMS-cc7b4c67-7
0.286
MAK-UNK-987948f6-12
0.283
MAK-UNK-af83ef51-11
0.282
JUL-TUD-06b2044f-147
0.278
MAK-UNK-987948f6-10
0.277
MAK-UNK-176ca439-2
0.277
JOO-PER-74f994a9-1
0.265
JOH-IMS-cc7b4c67-3
0.261
JOH-UNI-0e1753c1-1
0.258
SAD-SAT-7d5528d9-13
0.257
JOH-UNI-23d9e1b1-1
0.256
SAD-SAT-7d5528d9-21
0.256
TAM-UNI-d1c3dd9f-12
0.253
MAK-UNK-230cdef2-7
0.245
PAT-UNK-b2d83456-3
0.244
SAD-SAT-24589cd1-6
0.243
MAR-TRE-fd17a9b8-36
0.243
SAD-SAT-7d5528d9-6
0.243
SAD-SAT-7d5528d9-18
0.242
DAN-LON-a5fc619e-4
0.242
ASH-SAT-43770c7d-3
0.242
MAK-UNK-6ca90168-13
0.241
PAT-UNK-b2d83456-1
0.241
MAK-UNK-10dfa458-14
0.240
SAD-SAT-7d5528d9-24
0.240
FRA-BIO-8bf1eac9-4
0.236
JOK-SYG-18591e8f-1
0.233
JOH-UNI-0e1753c1-2
0.233
UNK-UNK-2ede4078-98
0.233
AAR-POS-d2a4d1df-35
0.233
MED-COV-4280ac29-15
0.233
HYO-UNK-49a60884-1
0.233
JOH-UNI-0e1753c1-3
0.233
AAR-POS-0daf6b7e-28
0.232
MAR-TRE-a3327163-23
0.231
MAR-TRE-dab8f6ea-37
0.230
SAD-SAT-7d5528d9-11
0.230
AAR-POS-d2a4d1df-24
0.230
SAD-SAT-7d5528d9-7
0.229
AHN-SAT-02ef6d10-10
0.227
MAK-UNK-3c359d2a-1
0.226
MAK-UNK-176ca439-4
0.226
MAK-UNK-af83ef51-20
0.225
MAK-UNK-5d2caa6f-2
0.225
MAR-TRE-0fda4e82-37
0.225
MAK-UNK-e4a48a85-17
0.224
ALP-POS-305f6ec3-58
0.224
MAK-UNK-849bee6c-14
0.223
LYN-UNI-b265e4fd-4
0.222
LYN-UNI-0d9431a4-3
0.222
PAT-UNK-b2d83456-2
0.222
AAR-POS-0daf6b7e-30
0.221
MAK-UNK-01147c51-7
0.220
SEA-TRI-67e8f1c7-1
0.219
MAR-TRE-dab8f6ea-26
0.219
RED-RED-10c9212c-24
0.219
KEW-UNK-86506a63-1
0.218
VIT-UNK-cff011c0-3
0.218
MAK-UNK-acefcb18-26
0.218
SAD-SAT-5b1897b2-5
0.217
WIL-LEE-1f71e281-4
0.217
MAT-POS-ee51dedd-1
0.217
MAK-UNK-c749d764-15
0.217
MAK-UNK-af83ef51-10
0.216
WIL-LEE-23e8b574-3
0.215
JAN-GHE-1d98ec1c-2
0.215
SAD-SAT-f25ee457-4
0.215
MAK-UNK-a7992eb3-10
0.215
MAK-UNK-a7992eb3-20
0.215
MAK-UNK-a7992eb3-22
0.214
DRR-IMP-38dce17f-2
0.213
VIT-UNK-2a0afa28-2
0.213
VIT-UNK-cff011c0-1
0.213
MAR-TRE-a3327163-41
0.213
MED-COV-4280ac29-13
0.213
MIH-UNI-e573136b-6
0.212
AGN-NEW-c197b967-2
0.211
JOH-IMS-7e73aedd-4
0.211
LYN-UNI-7bb260d6-6
0.211
JAN-GHE-1d98ec1c-8
0.211
MAR-TRE-3159af1a-49
0.210
MAT-POS-ea426761-62
0.209