Molecular Properties | |
SMILES: | CC(=O)N(c1cccc(CN2CCOCC2)c1)c1cnccc1C |
MW: | 325.18 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 45.67 |
cLogP: | 2.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-1
0.483
SAD-SAT-7d5528d9-16
0.459
SAD-SAT-7d5528d9-8
0.443
SAD-SAT-7d5528d9-2
0.429
MAK-UNK-987948f6-11
0.385
MAK-UNK-987948f6-10
0.375
BEN-DND-93268d01-10
0.373
AAR-POS-0daf6b7e-29
0.373
JOH-IMS-1436231f-6
0.373
SAD-SAT-7d5528d9-31
0.372
SAD-SAT-7d5528d9-14
0.368
MAK-UNK-987948f6-12
0.368
JAR-KUA-672ec752-7
0.366
SAD-SAT-7d5528d9-7
0.347
BEN-DND-6de5dfa0-17
0.345
SEL-UNI-8426c22c-4
0.344
JOH-ILL-da934517-1
0.344
VLA-UCB-05e51b3f-3
0.343
CHE-UNK-3dacc16b-3
0.343
SAD-SAT-7d5528d9-18
0.340
BAR-COM-ebf5acce-4
0.333
DAR-DIA-56cf811e-2
0.330
JAN-GHE-83b26c96-15
0.326
EDG-MED-0da5ad92-1
0.326
JOH-ILL-da934517-3
0.326
BAR-COM-ebf5acce-8
0.324
SAD-SAT-7d5528d9-6
0.323
ERI-UCB-5b47150d-5
0.321
CHE-UNK-1fcbaeee-4
0.321
PET-UNK-bbe8d7ff-1
0.319
BAR-COM-ebf5acce-11
0.317
ERI-UCB-5b47150d-3
0.317
DAR-DIA-076fb6ea-16
0.316
SAD-SAT-7d5528d9-19
0.315
SAD-SAT-7d5528d9-13
0.313
JOH-ILL-da934517-4
0.312
BAR-COM-ebf5acce-5
0.311
BAR-COM-ebf5acce-13
0.311
BAR-COM-ebf5acce-2
0.310
JOH-ILL-da934517-2
0.309
BAR-COM-ebf5acce-12
0.308
SAD-SAT-24589cd1-6
0.308
JAN-GHE-d851b096-1
0.306
BAR-COM-ebf5acce-1
0.306
SAD-SAT-7d5528d9-22
0.305
PET-UNK-bbe8d7ff-2
0.305
MAK-UNK-849bee6c-14
0.303
DAR-DIA-076fb6ea-6
0.303
DAR-DIA-076fb6ea-2
0.302
JOH-UNI-a38a7bdd-4
0.302
JOH-UNI-a38a7bdd-3
0.302
TRY-UNI-69298daf-1
0.302
BAR-COM-ebf5acce-14
0.301
JOH-UNI-a38a7bdd-7
0.301
BAR-COM-ebf5acce-9
0.300
EDG-MED-0da5ad92-19
0.300
JOH-UNI-a38a7bdd-9
0.300
DAR-DIA-076fb6ea-14
0.300
SAD-SAT-135344c3-9
0.297
EDG-MED-0da5ad92-20
0.297
SAD-SAT-7d5528d9-9
0.296
JUL-TUD-06b2044f-147
0.296
BAR-COM-ebf5acce-7
0.295
DAR-DIA-56cf811e-6
0.294
BAR-COM-ebf5acce-3
0.293
SAM-UNK-2684b532-8
0.293
JOR-UNI-61e7b1d5-3
0.292
SAM-UNK-2684b532-2
0.292
JOR-UNI-2fc98d0b-1
0.291
BAR-COM-ebf5acce-15
0.290
DAR-DIA-076fb6ea-7
0.290
JOH-UNI-a38a7bdd-8
0.288
BAR-COM-ebf5acce-6
0.287
JOR-UNI-2fc98d0b-6
0.286
NAU-LAT-3f5f3993-3
0.286
BAR-COM-0f94fc3d-33
0.284
BEN-DND-6de5dfa0-15
0.284
TAM-UNI-d1c3dd9f-12
0.283
NAU-LAT-3f5f3993-1
0.283
JAN-GHE-1d98ec1c-8
0.283
BAR-COM-ebf5acce-10
0.282
DAR-DIA-56cf811e-4
0.282
MAK-UNK-748f8b7a-11
0.280
MAK-UNK-849bee6c-15
0.280
SAD-SAT-7d5528d9-49
0.280
ALP-POS-780445ae-1
0.280
AAR-POS-d2a4d1df-24
0.279
SAD-SAT-7d5528d9-35
0.279
DAR-DIA-076fb6ea-4
0.279
DAR-DIA-076fb6ea-13
0.279
SAD-SAT-7d5528d9-4
0.279
ALP-POS-02c6a514-55
0.278
EDJ-MED-3c65e9ce-1
0.278
BEN-DND-93268d01-8
0.278
BAR-COM-0f94fc3d-28
0.277
ERI-UCB-5b47150d-2
0.277
JOR-UNI-61e7b1d5-4
0.277
JOH-UNI-23d9e1b1-1
0.276
AHN-SAT-02ef6d10-10
0.276
PAT-UNK-b2d83456-1
0.276