Molecular Properties | |
SMILES: | CCN1C[C@@H](c2cccc(Cl)c2)C(=O)N(c2cnccc2C)C1=O |
MW: | 343.11 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7a31b064-3
0.697
PET-UNK-7a31b064-6
0.620
VLA-UCB-1dbca3b4-4
0.610
PET-UNK-7a31b064-2
0.598
PET-UNK-eda34f30-1
0.575
EDJ-MED-e66f2cc5-1
0.506
PET-UNK-7a31b064-5
0.432
PET-UNK-7a31b064-1
0.417
PET-UNK-5eca9d1d-3
0.414
EDJ-MED-49816e9b-4
0.404
PET-UNK-4dc48bbe-1
0.398
VLA-UCB-00f2c2b3-5
0.382
JAG-UCB-cedd89ab-1
0.379
PET-UNK-7b413b46-4
0.374
PET-UNK-7b413b46-8
0.374
MIC-UNK-e8a42ca9-2
0.366
ADA-UCB-6c2cb422-7
0.363
VLA-UCB-1dbca3b4-8
0.362
KIM-UNI-60f168f5-4
0.360
KIM-UNI-60f168f5-3
0.360
KIM-UNI-60f168f5-6
0.356
KIM-UNI-60f168f5-5
0.356
VLA-UCB-1dbca3b4-6
0.354
PET-UNK-94460c07-4
0.354
VLA-UCB-1dbca3b4-18
0.354
PET-UNK-abc197b8-1
0.354
MIC-UNK-50cce87d-7
0.354
PET-UNK-5eca9d1d-1
0.351
PET-UNK-4dc48bbe-7
0.348
PET-UNK-5eca9d1d-2
0.348
MIC-UNK-50cce87d-8
0.347
MIC-UNK-50cce87d-11
0.343
VLA-UCB-00f2c2b3-3
0.342
PET-UNK-689df078-1
0.340
VLA-UCB-1dbca3b4-10
0.340
VLA-UCB-00f2c2b3-4
0.336
PET-UNK-94460c07-3
0.333
MIC-UNK-50cce87d-12
0.333
MIC-UNK-e8a42ca9-1
0.330
PET-UNK-7b413b46-3
0.330
PET-UNK-7b413b46-7
0.330
ADA-UCB-6c2cb422-5
0.330
ALP-POS-95b75b4d-11
0.330
EDJ-MED-e66f2cc5-2
0.330
PET-UNK-7b413b46-6
0.327
PET-UNK-7b413b46-2
0.327
MIC-UNK-50cce87d-6
0.327
KIM-UNI-60f168f5-2
0.325
MAR-TRE-4b834d9a-26
0.324
PET-UNK-5ddd54c7-2
0.320
JAN-GHE-83b26c96-18
0.318
MIC-UNK-50cce87d-10
0.317
MIC-UNK-50cce87d-5
0.317
VLA-UCB-53bdeed6-1
0.316
PET-UNK-7b413b46-5
0.314
PET-UNK-7b413b46-1
0.314
GIA-UNK-80c9bc96-1
0.310
PET-UNK-c9c1e0d8-4
0.310
EDG-MED-5d232de5-7
0.310
EDG-MED-5d232de5-8
0.310
PET-UNK-3e354a91-1
0.308
MIC-UNK-50cce87d-9
0.308
VLA-UCB-1dbca3b4-11
0.306
PET-UNK-c9c1e0d8-3
0.304
MIC-UNK-4e776895-2
0.303
PET-UNK-bbe8d7ff-2
0.302
ALP-POS-f13221e1-4
0.301
VLA-UCB-1dbca3b4-17
0.300
PET-UNK-4dc48bbe-6
0.300
MIC-UNK-0a05c952-2
0.299
EDJ-MED-49816e9b-6
0.295
JAN-GHE-83b26c96-17
0.293
PET-UNK-689df078-4
0.291
MIC-UNK-0a05c952-1
0.290
DAR-DIA-53551c05-3
0.288
EDJ-MED-49816e9b-1
0.286
MIC-UNK-4e776895-1
0.286
AGN-NEW-63f62ae9-1
0.283
JAN-GHE-83b26c96-24
0.283
DAR-DIA-f6ee7aeb-1
0.282
RAI-NOV-a7d52b4a-3
0.282
PET-UNK-689df078-3
0.282
MIC-UNK-d854bf4c-3
0.281
VLA-UCB-1dbca3b4-7
0.280
ADA-UCB-6c2cb422-6
0.280
VLA-UCB-05e51b3f-3
0.278
PET-UNK-67cd1298-1
0.277
DAR-DIA-2964957d-2
0.277
ERI-UCB-ce40166b-24
0.276
VLA-UNK-db5e3064-2
0.275
VLA-UNK-db5e3064-1
0.274
NIM-UNI-b87c0f72-1
0.274
NIM-UNI-b87c0f72-2
0.274
PET-UNK-689df078-2
0.274
PET-UNK-5ddd54c7-1
0.273
DAR-DIA-56cf811e-2
0.273
JAN-GHE-83b26c96-8
0.273
DAR-DIA-076fb6ea-16
0.273
SAD-SAT-7d5528d9-17
0.273
PET-UNK-194f9da3-2
0.273