Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1Cc1cccc(CN2CCOCC2)c1 |
MW: | 325.18 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-1
0.573
SAD-SAT-7d5528d9-8
0.494
SAD-SAT-7d5528d9-19
0.481
SAD-SAT-24589cd1-6
0.462
SAD-SAT-7d5528d9-9
0.460
SAD-SAT-7d5528d9-22
0.459
SAD-SAT-7d5528d9-16
0.459
MAK-UNK-987948f6-11
0.432
SAD-SAT-7d5528d9-3
0.429
SAD-SAT-7d5528d9-6
0.424
MAK-UNK-f203cb68-2
0.407
JOH-ILL-da934517-1
0.404
MAK-UNK-987948f6-12
0.398
MAK-UNK-987948f6-10
0.389
SAD-SAT-7d5528d9-31
0.387
ANU-UNK-2781581f-2
0.380
RIT-AID-b8bd8251-1
0.380
MAK-UNK-748f8b7a-6
0.374
BEN-DND-93268d01-10
0.373
JOH-IMS-1436231f-6
0.373
AAR-POS-0daf6b7e-29
0.373
MAK-UNK-7264f48c-2
0.372
JOH-ILL-da934517-3
0.372
SAD-SAT-7d5528d9-35
0.371
MAK-UNK-f2409524-36
0.369
JAR-KUA-672ec752-7
0.366
SAD-SAT-135344c3-9
0.365
DAR-DIA-03336633-10
0.364
SAD-SAT-7d5528d9-7
0.361
WIL-UNI-5578df48-11
0.360
MAK-UNK-f2409524-35
0.356
SAD-SAT-7d5528d9-14
0.354
WIL-LEE-23e8b574-3
0.349
SAD-SAT-7d5528d9-5
0.344
MAK-UNK-f203cb68-1
0.340
TAM-UNI-d1c3dd9f-12
0.337
CES-WAB-18e74d70-1
0.330
PET-SGC-c429dc17-1
0.330
SAD-SAT-7d5528d9-50
0.327
MAK-UNK-f2409524-28
0.324
NAT-WAB-78d8bb1c-2
0.323
MAK-UNK-f2409524-23
0.320
EDJ-MED-e58735b6-2
0.318
MAK-UNK-f2409524-1
0.316
AAR-POS-d2a4d1df-3
0.315
MAK-UNK-6435e6c2-8
0.315
MAK-UNK-f2409524-34
0.315
MAK-UNK-f2409524-24
0.314
DAR-DIA-03336633-8
0.314
MAK-UNK-f2409524-15
0.313
SAD-SAT-7d5528d9-13
0.313
JOH-ILL-da934517-4
0.312
MAK-UNK-f2409524-33
0.311
JOR-UNI-2fc98d0b-6
0.311
JOK-SYG-18591e8f-1
0.310
MAK-UNK-748f8b7a-9
0.310
JOH-ILL-da934517-2
0.309
SAM-UNK-2684b532-8
0.306
MAK-UNK-f2409524-27
0.306
JOR-UNI-2fc98d0b-1
0.304
MAR-TRE-3e4e6814-16
0.304
DAR-DIA-03336633-9
0.304
ALP-POS-95b75b4d-2
0.303
JAN-GHE-1d98ec1c-2
0.303
MAK-UNK-f2409524-26
0.303
MAK-UNK-f2409524-2
0.300
JOR-UNI-61e7b1d5-16
0.299
BEN-DND-93268d01-9
0.299
BEN-DND-09b88bf4-5
0.299
DAR-DIA-0cde14eb-79
0.298
JOH-IMS-d6628593-3
0.298
MAK-UNK-f2409524-29
0.297
DAR-DIA-43a5904b-16
0.296
SAD-SAT-24589cd1-8
0.295
DAR-DIA-03336633-6
0.294
JOR-UNI-61e7b1d5-3
0.292
MAR-TRE-2fd8122f-35
0.292
SAD-SAT-7d5528d9-4
0.291
JOR-UNI-2fc98d0b-9
0.291
JAN-GHE-83b26c96-14
0.290
ALP-POS-95b75b4d-3
0.290
DAR-DIA-0cde14eb-76
0.290
JOR-UNI-61e7b1d5-17
0.289
JAN-GHE-83b26c96-13
0.289
TRY-UNI-714a760b-6
0.289
ALP-POS-95b75b4d-10
0.289
MAK-UNK-7264f48c-1
0.289
DAR-DIA-0cde14eb-4
0.289
MAK-UNK-f2409524-21
0.288
MAK-UNK-f2409524-31
0.288
MAK-UNK-f2409524-30
0.288
JOR-UNI-61e7b1d5-4
0.288
SAM-UNK-2684b532-9
0.287
MAK-UNK-f2409524-32
0.287
MAK-UNK-f203cb68-4
0.286
ALP-POS-95b75b4d-1
0.286
JAN-GHE-83b26c96-12
0.286
MAR-TRE-fd17a9b8-44
0.286
ALP-POS-305f6ec3-58
0.285
PET-SGC-276eba5a-1
0.284