Molecular Properties | |
SMILES: | O=C1C[C@]2(CCOc3ccc(Cl)cc32)C(=O)N1c1nn[nH]c1C1CC1 |
MW: | 358.08 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 88.18 |
cLogP: | 2.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UCB-53bdeed6-5
0.615
VLA-UCB-53bdeed6-4
0.553
VLA-UCB-05e51b3f-5
0.500
VLA-UCB-50c39ae8-2
0.500
BEN-BAS-c2bc0d80-6
0.500
MAT-POS-94643566-1
0.500
EDG-MED-fe7487f8-12
0.426
VLA-UCB-05e51b3f-6
0.391
VLA-UCB-50c39ae8-3
0.391
ALP-POS-e0fe77e5-9
0.380
VLA-UCB-34f3ed0c-12
0.378
BEN-BAS-c2bc0d80-3
0.360
MAT-POS-983b399a-1
0.355
ALP-POS-477dc5b7-4
0.355
EDJ-MED-159244ea-1
0.355
ADA-UCB-b1b30a00-4
0.349
VLA-UNK-3a43cd95-3
0.345
EDG-MED-21720aac-1
0.333
MAT-POS-e20a5dfb-1
0.330
MAT-POS-e20a5dfb-2
0.330
ALP-POS-477dc5b7-5
0.330
ALP-POS-e0fe77e5-7
0.330
ALP-POS-e0fe77e5-8
0.330
EDG-MED-a20b5824-2
0.330
VLA-UNK-c65c1026-2
0.327
VLA-UCB-34f3ed0c-11
0.321
VLA-UCB-29506327-1
0.321
VLA-UNK-cf7facf1-1
0.321
EDJ-MED-159244ea-3
0.321
MAT-POS-983b399a-3
0.321
NIR-THE-1e03c142-1
0.316
VLA-UNK-ba665ac8-2
0.314
EDG-MED-21720aac-8
0.312
MAR-UCB-fd2e172f-21
0.312
EDG-MED-21720aac-2
0.309
VLA-UNK-ba665ac8-1
0.308
EDG-MED-21720aac-9
0.306
EDG-MED-21720aac-3
0.305
VLA-UNK-c65c1026-6
0.304
JOH-UNI-04a01eac-4
0.304
MIK-NEW-9ae4bfeb-1
0.303
BRU-THA-a358fbdd-4
0.303
JOH-UNI-766085ab-1
0.303
EDG-MED-fe7487f8-6
0.303
JAG-UCB-f37eaa14-3
0.301
EDG-MED-21720aac-10
0.300
VLA-UCB-53bdeed6-2
0.299
ADA-UCB-dc2b944c-1
0.298
VLA-UCB-34f3ed0c-17
0.298
JOH-UNI-d0d90dc1-2
0.297
VLA-UNK-f702bf1c-2
0.297
DAR-DIA-0f7b7cd9-9
0.296
MAT-POS-90505e2b-1
0.296
MAT-POS-ec6d90b7-1
0.296
MAT-POS-ec6d90b7-2
0.296
BRU-THA-73c97d88-1
0.296
EDG-MED-fe7487f8-7
0.295
VLA-UNK-f702bf1c-3
0.295
VLA-UNK-f702bf1c-5
0.293
VLA-UNK-f702bf1c-4
0.290
EDG-MED-21720aac-4
0.290
JOH-UNI-d0d90dc1-5
0.289
EDG-MED-21720aac-5
0.289
BEN-BAS-c2bc0d80-7
0.288
MIC-UNK-4ce148f7-3
0.288
MAR-UCB-fd2e172f-9
0.287
VLA-UCB-34f3ed0c-14
0.287
VLA-UNK-f702bf1c-6
0.287
ERI-UCB-b3e6b0c2-19
0.286
MAR-UCB-fd2e172f-3
0.286
MAT-POS-8293a91a-8
0.284
ERI-UCB-b3e6b0c2-18
0.283
MAR-UCB-fd2e172f-4
0.283
MAR-UCB-fd2e172f-18
0.283
VLA-UNK-f702bf1c-8
0.282
VLA-UNK-c65c1026-1
0.282
DAR-DIA-0f7b7cd9-8
0.282
VLA-UNK-83c3754c-1
0.281
VLA-UNK-70dd90ef-4
0.281
EDG-MED-21720aac-6
0.280
EDG-MED-21720aac-11
0.280
MAR-UCB-fd2e172f-14
0.280
PAU-WIS-d4065696-3
0.280
MAR-UCB-fd2e172f-39
0.280
VLA-UCB-34f3ed0c-15
0.279
VLA-UNK-f702bf1c-7
0.279
VLA-UCB-34f3ed0c-18
0.278
MIC-UNK-4ce148f7-2
0.277
ALP-POS-5de921e7-3
0.277
MIC-UNK-deda7a44-3
0.276
MIC-UNK-deda7a44-9
0.275
EDG-MED-21720aac-7
0.275
EDG-MED-21720aac-12
0.275
JOH-UNI-04a01eac-2
0.274
ALP-POS-5de921e7-5
0.274
MIC-UNK-4ce148f7-4
0.274
PET-UNK-0df12184-4
0.274
JOH-UNI-df8adf26-5
0.274
JAN-GHE-299e5c7e-2
0.274
MIC-UNK-deda7a44-4
0.273