Molecular Properties | |
SMILES: | O=C1NC[C@@H](c2cccc(Cl)c2)C(=O)N1c1cccnc1 |
MW: | 301.06 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-eda34f30-1
PET-UNK-7a31b064-3
PET-UNK-7a31b064-2
PET-UNK-7a31b064-1
PET-UNK-7a31b064-4
PET-UNK-7a31b064-6
PET-UNK-7a31b064-5
PET-UNK-94460c07-2
PET-UNK-94460c07-4
PET-UNK-94460c07-1
PET-UNK-94460c07-6
PET-UNK-94460c07-3
PET-UNK-94460c07-5
PET-UNK-eda34f30-1
0.581
PET-UNK-7a31b064-6
0.566
PET-UNK-4dc48bbe-7
0.563
PET-UNK-7a31b064-5
0.560
PET-UNK-abc197b8-1
0.506
VLA-UCB-1dbca3b4-18
0.506
JAN-GHE-83b26c96-18
0.466
PET-UNK-4dc48bbe-9
0.427
VLA-UCB-1dbca3b4-4
0.420
PET-UNK-7a31b064-4
0.398
PET-UNK-7a31b064-3
0.395
PET-UNK-4dc48bbe-2
0.392
PET-UNK-7b413b46-6
0.391
PET-UNK-7b413b46-2
0.391
ERI-UCB-ce40166b-24
0.389
ERI-UCB-ce40166b-22
0.387
EDJ-MED-e66f2cc5-1
0.381
VLA-UCB-53bdeed6-1
0.365
MAR-TRE-74c6519b-18
0.355
VLA-UCB-1dbca3b4-8
0.352
EDJ-MED-e66f2cc5-2
0.349
MIC-UNK-50cce87d-6
0.344
VLA-UCB-1dbca3b4-6
0.344
PET-UNK-4dc48bbe-3
0.341
NIM-UNI-0ea3b7bf-5
0.333
MIC-UNK-50cce87d-5
0.333
PET-UNK-94460c07-5
0.333
MIC-UNK-50cce87d-10
0.333
PET-UNK-67cd1298-1
0.333
PET-UNK-689df078-1
0.330
PET-UNK-7b413b46-1
0.330
VLA-UCB-1dbca3b4-10
0.330
PET-UNK-7b413b46-5
0.330
PET-UNK-94460c07-6
0.330
PET-UNK-4dc48bbe-5
0.329
PET-UNK-7a31b064-2
0.327
PET-UNK-7b413b46-4
0.323
PET-UNK-7a31b064-1
0.323
PET-UNK-7b413b46-8
0.323
MIC-UNK-50cce87d-9
0.323
PET-UNK-7b413b46-3
0.320
PET-UNK-7b413b46-7
0.320
MAK-UNK-9e4a73aa-3
0.319
MIC-UNK-50cce87d-7
0.316
EDG-MED-5d232de5-7
0.312
EDG-MED-5d232de5-8
0.312
GIA-UNK-80c9bc96-1
0.312
PET-UNK-c9c1e0d8-4
0.312
PET-UNK-fcd64629-1
0.311
RAI-NOV-a7d52b4a-1
0.309
MIC-UNK-50cce87d-8
0.309
DAR-DIA-43a5904b-5
0.308
DAR-DIA-43a5904b-6
0.308
VLA-UCB-1dbca3b4-7
0.308
UNK-UNK-2ede4078-35
0.306
MIC-UNK-50cce87d-11
0.306
PET-UNK-c9c1e0d8-3
0.305
DAR-DIA-fc970077-12
0.305
EDJ-MED-49816e9b-4
0.303
DAR-DIA-fc970077-7
0.301
MIC-UNK-0a05c952-2
0.300
MIC-UNK-50cce87d-12
0.297
PET-UNK-5ddd54c7-2
0.296
PET-UNK-3e354a91-1
0.296
EDJ-MED-49816e9b-6
0.295
PET-UNK-689df078-3
0.295
RAI-NOV-c18e0037-3
0.293
MAR-TRE-04c86cea-13
0.291
DAR-DIA-43a5904b-1
0.290
MIC-UNK-0a05c952-1
0.290
MAR-TRE-74c6519b-26
0.287
PET-UNK-4dc48bbe-6
0.287
VLA-UCB-1dbca3b4-17
0.287
DAR-DIA-fc970077-8
0.286
NIM-UNI-b87c0f72-1
0.286
NIM-UNI-b87c0f72-2
0.286
MIC-UNK-4e776895-1
0.286
MAR-TRE-b77b7921-87
0.284
JOH-UNI-61f30276-1
0.284
VLA-UCB-1dbca3b4-5
0.283
DAV-CRI-1c77f7a9-4
0.282
PET-UNK-5eca9d1d-3
0.281
VLA-UCB-1dbca3b4-11
0.280
WAR-XCH-eb7b662f-7
0.278
JAN-GHE-83b26c96-19
0.278
DAR-DIA-23aa0b97-14
0.278
JOR-UNI-2fc98d0b-7
0.278
PET-UNK-689df078-4
0.278
MIC-UNK-4e776895-2
0.277
JAG-UCB-cedd89ab-1
0.276
NIM-UNI-534877e5-1
0.275
RAL-THA-9041a04d-4
0.275
PET-UNK-194f9da3-1
0.275
MAT-POS-a54ce14d-1
0.275
VLA-UNK-db5e3064-2
0.274
NIM-UNI-36e12f95-1
0.273
DAR-DIA-43a5904b-15
0.273
MAR-TRE-4b834d9a-26
0.273
DAR-DIA-43a5904b-16
0.270
VLA-UCB-eb340134-1
0.270