Molecular Properties | |
SMILES: | CCN1C[C@@H](c2cccc(Cl)c2)C(=O)N(c2cccnc2)C1=O |
MW: | 329.09 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7a31b064-5
0.694
PET-UNK-7a31b064-4
0.620
PET-UNK-4dc48bbe-1
0.566
PET-UNK-7a31b064-2
0.534
PET-UNK-4dc48bbe-7
0.506
PET-UNK-7a31b064-3
0.437
VLA-UCB-1dbca3b4-4
0.412
JAN-GHE-83b26c96-18
0.400
PET-UNK-eda34f30-1
0.386
PET-UNK-4dc48bbe-2
0.386
ERI-UCB-ce40166b-24
0.383
PET-UNK-7a31b064-1
0.375
ERI-UCB-ce40166b-22
0.367
PET-UNK-4dc48bbe-9
0.366
PET-UNK-7b413b46-4
0.361
PET-UNK-7b413b46-8
0.361
EDJ-MED-e66f2cc5-1
0.360
PET-UNK-94460c07-6
0.356
VLA-UCB-1dbca3b4-6
0.340
MAR-TRE-74c6519b-18
0.333
VLA-UCB-1dbca3b4-8
0.333
VLA-UCB-53bdeed6-1
0.330
VLA-UCB-1dbca3b4-18
0.327
PET-UNK-abc197b8-1
0.327
PET-UNK-4dc48bbe-5
0.326
MIC-UNK-50cce87d-8
0.320
PET-UNK-7b413b46-3
0.317
PET-UNK-7b413b46-7
0.317
MIC-UNK-50cce87d-5
0.316
MAK-UNK-9e4a73aa-3
0.316
PET-UNK-94460c07-5
0.315
EDJ-MED-e66f2cc5-2
0.315
VLA-UCB-1dbca3b4-10
0.313
PET-UNK-7b413b46-1
0.313
PET-UNK-7b413b46-5
0.313
MIC-UNK-50cce87d-7
0.313
PET-UNK-689df078-1
0.313
PET-UNK-7b413b46-2
0.312
PET-UNK-7b413b46-6
0.312
MIC-UNK-50cce87d-6
0.312
PET-UNK-4dc48bbe-3
0.308
MIC-UNK-50cce87d-12
0.308
MIC-UNK-50cce87d-9
0.307
MIC-UNK-50cce87d-11
0.304
SAD-SAT-135344c3-8
0.303
MIC-UNK-50cce87d-10
0.303
PET-UNK-67cd1298-1
0.302
DAR-DIA-fc970077-7
0.299
NIM-UNI-b87c0f72-1
0.297
NIM-UNI-b87c0f72-2
0.297
EDG-MED-5d232de5-8
0.296
GIA-UNK-80c9bc96-1
0.296
PET-UNK-c9c1e0d8-4
0.296
EDG-MED-5d232de5-7
0.296
PET-UNK-3e354a91-1
0.294
DAR-DIA-43a5904b-14
0.292
PET-UNK-c9c1e0d8-3
0.290
EMI-TUK-b780fc43-1
0.289
EMI-TUK-6c6b371f-1
0.289
DAR-DIA-43a5904b-1
0.289
MIC-UNK-0a05c952-2
0.286
NIM-UNI-0ea3b7bf-5
0.284
DAR-DIA-fc970077-8
0.284
PET-UNK-5ddd54c7-2
0.282
PET-UNK-fcd64629-1
0.281
DAV-CRI-1c77f7a9-4
0.280
PET-UNK-5eca9d1d-3
0.280
RAI-NOV-c18e0037-3
0.278
DAR-DIA-43a5904b-5
0.278
VLA-UCB-1dbca3b4-7
0.278
RAI-NOV-c18e0037-6
0.278
DAR-DIA-43a5904b-6
0.278
PET-UNK-689df078-4
0.277
MIC-UNK-0a05c952-1
0.276
JAG-UCB-cedd89ab-1
0.275
MAR-TRE-04c86cea-13
0.274
EDJ-MED-49816e9b-4
0.274
NIM-UNI-534877e5-1
0.274
ADA-UCB-6c2cb422-7
0.274
PET-UNK-4dc48bbe-6
0.273
VLA-UNK-db5e3064-2
0.273
VLA-UCB-1dbca3b4-17
0.273
DAR-DIA-fc970077-12
0.273
DAR-DIA-43a5904b-17
0.272
MAR-TRE-4b834d9a-26
0.272
MIC-UNK-df342a3f-1
0.272
MAR-TRE-74c6519b-26
0.271
JOR-UNI-2fc98d0b-14
0.269
MAR-TRE-d0525fbf-84
0.269
RAI-NOV-a7d52b4a-1
0.269
MIC-UNK-d854bf4c-3
0.268
RAI-NOV-a7d52b4a-3
0.267
PET-UNK-689df078-3
0.267
DAR-DIA-43a5904b-13
0.267
EDJ-MED-49816e9b-6
0.266
MIC-UNK-d854bf4c-7
0.265
VLA-UCB-1dbca3b4-11
0.265
DAR-DIA-fc970077-2
0.264
MAK-UNK-9e4a73aa-2
0.263
JOR-UNI-2fc98d0b-3
0.262