Molecular Properties | |
SMILES: | C[C@H](c1cccc(CN2CCOCC2)c1)N(C)C1CCOCC1 |
MW: | 318.23 |
Fraction sp3: | 0.68 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 24.94 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-29
JOH-ILL-da934517-2
0.487
AAR-POS-0daf6b7e-29
0.439
JOH-IMS-1436231f-6
0.439
JOH-ILL-da934517-3
0.410
JOH-ILL-da934517-1
0.376
SAD-SAT-7d5528d9-19
0.362
JAR-KUA-672ec752-7
0.337
SAD-SAT-7d5528d9-16
0.333
JOH-ILL-98f23d0b-1
0.329
SAD-SAT-7d5528d9-14
0.326
MAK-UNK-987948f6-11
0.326
SAD-SAT-7d5528d9-8
0.322
MAK-UNK-987948f6-10
0.319
SAD-SAT-7d5528d9-22
0.318
SAD-SAT-7d5528d9-1
0.315
SAD-SAT-7d5528d9-3
0.312
MAK-UNK-987948f6-12
0.312
SAD-SAT-7d5528d9-2
0.312
SAD-SAT-7d5528d9-9
0.308
SAD-SAT-7d5528d9-31
0.301
MAK-UNK-af83ef51-11
0.300
WAR-XCH-b6889685-62
0.298
ASH-SAT-43770c7d-3
0.286
DAN-LON-a5fc619e-4
0.284
JOO-PER-74f994a9-1
0.282
JUL-TUD-06b2044f-147
0.280
SAD-SAT-7d5528d9-21
0.271
TAM-UNI-d1c3dd9f-12
0.266
MAK-UNK-176ca439-2
0.265
JOH-UNI-0e1753c1-1
0.259
PAT-UNK-b2d83456-1
0.256
MAK-UNK-6ca90168-13
0.256
JOH-UNI-23d9e1b1-1
0.256
SAD-SAT-7d5528d9-6
0.255
SAD-SAT-7d5528d9-24
0.253
PAT-UNK-b2d83456-2
0.250
FRA-BIO-8bf1eac9-4
0.248
JOK-SYG-18591e8f-1
0.247
JOH-UNI-0e1753c1-3
0.247
HYO-UNK-49a60884-1
0.247
AAR-POS-d2a4d1df-35
0.247
MED-COV-4280ac29-15
0.247
JOH-UNI-0e1753c1-2
0.247
AAR-POS-0daf6b7e-28
0.247
SAD-SAT-7d5528d9-13
0.245
WIL-LEE-1f71e281-4
0.244
PAT-UNK-b2d83456-3
0.244
AAR-POS-d2a4d1df-24
0.244
ALP-POS-305f6ec3-58
0.242
SAD-SAT-7d5528d9-11
0.242
SAD-SAT-7d5528d9-18
0.242
PET-UNK-f92d7c0c-3
0.241
AHN-SAT-02ef6d10-10
0.241
VIT-UNK-cff011c0-3
0.240
SAD-SAT-7d5528d9-7
0.240
MED-COV-4280ac29-13
0.239
MAR-TRE-0fda4e82-37
0.238
JAN-GHE-1d98ec1c-8
0.236
WAR-XCH-b6889685-64
0.236
VIT-UNK-cff011c0-1
0.235
AAR-POS-0daf6b7e-30
0.235
MAR-TRE-3724962b-31
0.234
MAR-TRE-ebcc4ad6-39
0.234
GIA-UNK-20b63697-2
0.233
UNK-UNK-2ede4078-98
0.232
MAK-UNK-5d2caa6f-5
0.232
SAD-SAT-24589cd1-6
0.231
MAR-TRE-fd17a9b8-36
0.231
MAR-TRE-fd17a9b8-68
0.231
MAT-POS-ee51dedd-1
0.230
MAR-TRE-dab8f6ea-37
0.229
VIT-UNK-2a0afa28-4
0.229
MAK-UNK-af83ef51-10
0.228
MAK-UNK-10dfa458-14
0.228
WIL-LEE-23e8b574-3
0.227
JAN-GHE-1d98ec1c-2
0.227
MAK-UNK-ec98eaf6-45
0.227
DRR-IMP-38dce17f-2
0.226
SAD-SAT-7d5528d9-35
0.225
WAR-XCH-b6889685-53
0.225
JOH-IMS-1436231f-2
0.225
MAK-UNK-be5ffcbc-4
0.224
MAK-UNK-af83ef51-20
0.224
DAN-LON-a5fc619e-10
0.223
VIT-UNK-2a0afa28-2
0.223
MAK-UNK-e4a48a85-17
0.223
SEA-TRI-146a67b6-1
0.222
MAK-UNK-9955b1f3-3
0.221
AAR-POS-d2a4d1df-7
0.221
SEA-TRI-ec70a9dd-1
0.220
AGN-NEW-fad6815c-2
0.220
AGN-NEW-817c14da-1
0.220
AGN-NEW-c197b967-2
0.220
JOR-UNI-61e7b1d5-17
0.219
DRA-CSI-47e38074-1
0.219
VIT-UNK-cff011c0-2
0.219
JOH-UNI-0e1753c1-5
0.219
DAN-LON-a5fc619e-3
0.219
SAD-SAT-c989feaa-6
0.219
MAR-LAB-ca4662a6-5
0.218