Molecular Properties | |
SMILES: | Cc1ccncc1N1C(=O)NC[C@@H](c2cccc(Cl)c2)C1=O |
MW: | 315.08 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 2.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-4
0.639
PET-UNK-7a31b064-3
0.597
PET-UNK-4dc48bbe-1
0.581
VLA-UCB-1dbca3b4-18
0.580
PET-UNK-abc197b8-1
0.580
PET-UNK-7a31b064-4
0.575
EDJ-MED-e66f2cc5-1
0.545
EDJ-MED-49816e9b-4
0.469
VLA-UCB-00f2c2b3-5
0.427
PET-UNK-5eca9d1d-3
0.427
PET-UNK-7b413b46-6
0.409
PET-UNK-7b413b46-2
0.409
VLA-UCB-1dbca3b4-8
0.402
PET-UNK-7a31b064-5
0.395
PET-UNK-5eca9d1d-1
0.391
JAG-UCB-cedd89ab-1
0.390
PET-UNK-7a31b064-6
0.386
KIM-UNI-60f168f5-2
0.370
VLA-UCB-1dbca3b4-6
0.363
MIC-UNK-50cce87d-7
0.362
PET-UNK-689df078-1
0.362
VLA-UCB-1dbca3b4-10
0.362
JAN-GHE-83b26c96-18
0.358
PET-UNK-4dc48bbe-7
0.357
PET-UNK-5eca9d1d-2
0.356
PET-UNK-94460c07-3
0.356
VLA-UCB-1dbca3b4-11
0.356
PET-UNK-7a31b064-1
0.354
EDJ-MED-e66f2cc5-2
0.353
ADA-UCB-6c2cb422-5
0.352
MIC-UNK-50cce87d-11
0.351
MIC-UNK-50cce87d-6
0.348
MIC-UNK-e8a42ca9-2
0.347
PET-UNK-7a31b064-2
0.343
ADA-UCB-6c2cb422-7
0.343
VLA-UCB-00f2c2b3-4
0.342
PET-UNK-7b413b46-8
0.340
PET-UNK-7b413b46-4
0.340
PET-UNK-5ddd54c7-2
0.340
VLA-UCB-53bdeed6-1
0.337
ALP-POS-95b75b4d-11
0.337
MIC-UNK-50cce87d-10
0.337
PET-UNK-7b413b46-7
0.337
PET-UNK-7b413b46-3
0.337
MIC-UNK-e8a42ca9-1
0.337
VLA-UCB-00f2c2b3-3
0.336
PET-UNK-7b413b46-1
0.333
PET-UNK-94460c07-4
0.333
VLA-UCB-1dbca3b4-17
0.333
PET-UNK-7b413b46-5
0.333
PET-UNK-4dc48bbe-6
0.333
MIC-UNK-0a05c952-2
0.330
MAR-TRE-4b834d9a-26
0.330
GIA-UNK-80c9bc96-1
0.330
PET-UNK-c9c1e0d8-4
0.330
EDG-MED-5d232de5-7
0.330
EDG-MED-5d232de5-8
0.330
EDJ-MED-49816e9b-6
0.330
MIC-UNK-50cce87d-8
0.327
PET-UNK-3e354a91-1
0.327
PET-UNK-c9c1e0d8-3
0.323
MIC-UNK-50cce87d-5
0.323
KIM-UNI-60f168f5-4
0.321
KIM-UNI-60f168f5-3
0.321
MIC-UNK-0a05c952-1
0.320
KIM-UNI-60f168f5-6
0.318
KIM-UNI-60f168f5-5
0.318
MIC-UNK-50cce87d-12
0.314
MIC-UNK-50cce87d-9
0.313
RAI-NOV-a7d52b4a-1
0.313
PET-UNK-689df078-3
0.312
PET-UNK-689df078-4
0.309
MIC-UNK-4e776895-2
0.309
MIC-UNK-4e776895-1
0.304
PET-UNK-194f9da3-1
0.304
PET-UNK-194f9da3-2
0.301
BAR-COM-ebf5acce-13
0.300
VLA-UCB-1dbca3b4-7
0.298
JAN-GHE-83b26c96-21
0.298
UNK-UNK-2ede4078-35
0.297
BEN-DND-d1eb1f41-7
0.296
MAT-POS-24589f88-14
0.296
DAR-DIA-2964957d-2
0.295
PET-UNK-67cd1298-1
0.295
BAR-COM-ebf5acce-1
0.295
BAR-COM-0f94fc3d-25
0.293
PET-UNK-bbe8d7ff-2
0.293
DAR-DIA-53551c05-3
0.293
IND-SYN-2c708b29-1
0.292
EDJ-MED-49816e9b-1
0.291
SAD-SAT-7d5528d9-17
0.290
SAM-UNK-2684b532-1
0.290
JAN-GHE-83b26c96-20
0.289
EDG-MED-0da5ad92-11
0.289
JOH-UNI-61f30276-1
0.289
SAD-SAT-7d5528d9-12
0.289
PET-UNK-fcd64629-1
0.287
VLA-UCB-1dbca3b4-5
0.287
VLA-UCB-eb340134-1
0.287
AGN-NEW-63f62ae9-1
0.287