Molecular Properties | |
SMILES: | Clc1cccc(CC2(c3ccc4cc3NC4)CCOCC2)c1 |
MW: | 313.12 |
Fraction sp3: | 0.37 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 21.26 |
cLogP: | 4.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-20
0.592
SAD-SAT-7d5528d9-10
0.571
SAD-SAT-7d5528d9-5
0.476
SAD-SAT-7d5528d9-56
0.452
SAD-SAT-7d5528d9-50
0.389
SAD-SAT-7d5528d9-24
0.376
SAD-SAT-7d5528d9-17
0.364
SAD-SAT-7d5528d9-53
0.359
SAD-SAT-7d5528d9-52
0.337
SAD-SAT-7d5528d9-12
0.330
SAD-SAT-7d5528d9-54
0.323
SAD-SAT-7d5528d9-38
0.323
SAD-SAT-7d5528d9-4
0.320
SAD-SAT-7d5528d9-45
0.315
SAD-SAT-7d5528d9-40
0.312
SAD-SAT-7d5528d9-46
0.311
JOH-IMS-1436231f-6
0.307
AAR-POS-0daf6b7e-29
0.307
SAD-SAT-7d5528d9-21
0.276
PET-UNK-f92d7c0c-4
0.274
PET-UNK-f92d7c0c-5
0.274
SAD-SAT-7d5528d9-49
0.268
SAD-SAT-7d5528d9-22
0.266
PET-UNK-f92d7c0c-1
0.264
PET-UNK-f92d7c0c-6
0.264
SAD-SAT-7d5528d9-15
0.263
SAD-SAT-7d5528d9-47
0.263
MAT-POS-0bc33984-2
0.261
SAD-SAT-7d5528d9-11
0.260
SAD-SAT-7d5528d9-36
0.260
MAT-POS-500ca5bf-2
0.259
MIC-UNK-42806bd5-1
0.259
ALP-POS-90e38439-2
0.259
MIC-UNK-4c7b8ba7-1
0.258
ALP-POS-90e38439-3
0.256
MIC-UNK-42806bd5-2
0.256
ALP-POS-8b8a49e1-5
0.256
MIC-UNK-fc94cdb5-1
0.256
DAN-LON-a5fc619e-2
0.256
ROB-UNI-daaf9793-2
0.253
NAU-LAT-a5c7d7cb-14
0.253
SAD-SAT-7d5528d9-13
0.250
RUB-POS-1325a9ea-1
0.247
MAT-POS-f7918075-7
0.247
SAD-SAT-7d5528d9-18
0.247
BAR-COM-ebf5acce-11
0.245
SAD-SAT-7d5528d9-42
0.245
ALP-POS-8b8a49e1-8
0.244
DAR-DIA-b80f1cd7-13
0.243
MAT-POS-0bc33984-1
0.242
MAT-POS-14ad9fe9-1
0.240
DAR-DIA-b80f1cd7-3
0.237
JOH-UNI-0e1753c1-1
0.236
RUB-POS-1325a9ea-24
0.234
AAR-RCN-845f9611-1
0.233
ASH-SAT-43770c7d-3
0.233
PET-UNK-f92d7c0c-3
0.233
JIN-POS-6dc588a4-2
0.232
VLA-UCB-1dbca3b4-1
0.232
NAU-LAT-a5c7d7cb-13
0.232
RUB-POS-1325a9ea-23
0.232
ALP-POS-90e38439-1
0.232
BAR-COM-ebf5acce-1
0.230
JAN-GHE-5a013bed-11
0.230
NIM-UNI-b87c0f72-1
0.229
NIM-UNI-b87c0f72-2
0.229
JIN-POS-6dc588a4-20
0.228
MAT-POS-6da3605a-2
0.227
JAG-UCB-cedd89ab-2
0.227
MAT-POS-bb423b95-2
0.227
JIN-POS-6dc588a4-10
0.227
RUB-POS-1325a9ea-6
0.227
PET-UNK-f92d7c0c-7
0.226
AAR-RCN-28a8122f-1
0.225
RUB-POS-1325a9ea-7
0.224
DAR-DIA-b80f1cd7-6
0.224
JOH-UNI-0e1753c1-2
0.224
JOH-UNI-0e1753c1-3
0.224
AAR-POS-d2a4d1df-35
0.224
HYO-UNK-49a60884-1
0.224
MED-COV-4280ac29-15
0.224
SAD-SAT-7d5528d9-29
0.223
SAD-SAT-7d5528d9-6
0.223
DAN-LON-a5fc619e-9
0.222
MIC-UNK-8373f97b-2
0.222
MIC-UNK-13557a72-1
0.222
DAN-LON-a5fc619e-4
0.221
JOH-UNI-61f30276-1
0.221
JOH-IMS-1436231f-1
0.221
NAM-UNK-f7c77a48-3
0.221
EDJ-MED-c8e7a002-3
0.220
DAR-DIA-b80f1cd7-11
0.219
PET-UNK-f92d7c0c-2
0.219
PET-UNK-f92d7c0c-8
0.219
RUB-POS-1325a9ea-20
0.219
MAT-POS-bb423b95-1
0.219
MAK-UNK-6ca90168-13
0.218
JOH-UNI-23d9e1b1-1
0.218
ALP-POS-8b8a49e1-7
0.218
MED-COV-4280ac29-11
0.217