Molecular Properties | |
SMILES: | O=C1C[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1cn[nH]c1C1CC1 |
MW: | 357.09 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 75.29 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UCB-53bdeed6-6
0.615
MAT-POS-94643566-1
0.568
VLA-UCB-50c39ae8-2
0.568
VLA-UCB-05e51b3f-5
0.568
BEN-BAS-c2bc0d80-6
0.568
VLA-UCB-53bdeed6-4
0.526
VLA-UCB-05e51b3f-6
0.421
VLA-UCB-50c39ae8-3
0.421
VLA-UNK-3a43cd95-3
0.411
ALP-POS-e0fe77e5-9
0.410
VLA-UCB-34f3ed0c-12
0.407
EDG-MED-fe7487f8-12
0.402
BEN-BAS-c2bc0d80-3
0.389
EDJ-MED-159244ea-1
0.383
MAT-POS-983b399a-1
0.383
ALP-POS-477dc5b7-4
0.383
VLA-UNK-c65c1026-2
0.367
MAT-POS-e20a5dfb-1
0.357
MAT-POS-e20a5dfb-2
0.357
ALP-POS-e0fe77e5-7
0.357
ALP-POS-477dc5b7-5
0.357
EDJ-MED-159244ea-3
0.349
MAT-POS-983b399a-3
0.349
ALP-POS-e0fe77e5-8
0.345
VLA-UNK-ba665ac8-1
0.345
EDG-MED-21720aac-2
0.341
VLA-UNK-ba665ac8-2
0.339
VLA-UNK-cf7facf1-1
0.336
VLA-UCB-34f3ed0c-11
0.336
VLA-UCB-29506327-1
0.336
EDG-MED-21720aac-8
0.330
JAG-UCB-f37eaa14-3
0.327
ADA-UCB-b1b30a00-4
0.327
VLA-UNK-f702bf1c-5
0.326
EDG-MED-21720aac-9
0.323
VLA-UNK-f702bf1c-4
0.323
EDG-MED-21720aac-1
0.322
MAT-POS-8293a91a-8
0.321
BRU-THA-73c97d88-1
0.321
MAT-POS-90505e2b-1
0.321
MAT-POS-ec6d90b7-1
0.321
MAT-POS-ec6d90b7-2
0.321
ADA-UCB-dc2b944c-1
0.320
VLA-UNK-c65c1026-6
0.319
NIR-THE-1e03c142-1
0.319
EDG-MED-21720aac-10
0.316
MAR-UCB-fd2e172f-21
0.315
BEN-BAS-c2bc0d80-7
0.313
VLA-UNK-f702bf1c-7
0.312
VLA-UCB-34f3ed0c-17
0.310
DAR-DIA-0f7b7cd9-9
0.310
VLA-UCB-34f3ed0c-14
0.310
VLA-UNK-f702bf1c-6
0.310
EDG-MED-a20b5824-2
0.309
EDG-MED-21720aac-3
0.309
VLA-UNK-c65c1026-1
0.307
DAR-DIA-0f7b7cd9-8
0.307
VLA-UNK-c65c1026-5
0.307
JOH-UNI-04a01eac-4
0.306
EDG-MED-21720aac-4
0.306
EDG-MED-21720aac-5
0.305
MAR-UCB-fd2e172f-14
0.304
VLA-UCB-34f3ed0c-15
0.302
ALP-POS-5de921e7-1
0.300
VLA-UCB-34f3ed0c-18
0.300
JOH-UNI-04a01eac-2
0.300
VLA-UNK-f702bf1c-2
0.299
ERI-UCB-b3e6b0c2-19
0.298
VLA-UNK-f702bf1c-3
0.297
VLA-UCB-53bdeed6-3
0.296
ERI-UCB-b3e6b0c2-18
0.296
EDG-MED-21720aac-6
0.296
EDG-MED-21720aac-11
0.296
VLA-UNK-3a43cd95-4
0.296
DAR-DIA-5a24bef0-3
0.296
VLA-UNK-f702bf1c-1
0.295
VLA-UNK-f702bf1c-8
0.295
JOH-UNI-766085ab-1
0.294
VLA-UCB-34f3ed0c-16
0.293
MAR-UCB-fd2e172f-40
0.293
MIC-UNK-4ce148f7-3
0.291
MAR-UCB-fd2e172f-35
0.291
EDG-MED-21720aac-7
0.290
EDG-MED-21720aac-12
0.290
JOH-UNI-d0d90dc1-2
0.288
MAR-UCB-fd2e172f-3
0.288
JOH-UNI-df8adf26-5
0.287
MAR-UCB-fd2e172f-22
0.287
MAR-UCB-fd2e172f-13
0.286
MAR-UCB-fd2e172f-15
0.286
MAR-UCB-fd2e172f-18
0.286
EDG-MED-fe7487f8-7
0.286
PET-UNK-407a74a5-15
0.284
MAR-UCB-fd2e172f-1
0.284
MAR-UCB-fd2e172f-27
0.284
PET-UNK-ee8352fa-3
0.283
MAR-UCB-fd2e172f-19
0.283
VLA-UNK-83c3754c-1
0.283
VLA-UNK-70dd90ef-4
0.283
PET-UNK-c761fc18-1
0.282