Molecular Properties | |
SMILES: | O=C(Nc1ccc2cncc(F)c2c1)C1COc2ccc(Cl)cc21 |
MW: | 342.06 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-UCB-6ab2ec87-5
0.586
MAT-POS-bbbbc21a-2
0.545
EDJ-MED-12c115cc-1
0.545
EDJ-MED-12c115cc-2
0.545
MAT-POS-f7918075-2
0.545
ERI-UCB-b3e6b0c2-1
0.521
ALF-EVA-a24cc7ce-1
0.511
ALF-EVA-a24cc7ce-8
0.511
ERI-UCB-b3e6b0c2-7
0.480
ERI-UCB-b3e6b0c2-10
0.479
JAG-UCB-a3ef7265-3
0.478
ERI-UCB-b3e6b0c2-6
0.476
MIC-UNK-deda7a44-5
0.467
NAU-LAT-8502cac5-2
0.467
JAG-UCB-c61058a9-18
0.467
JAG-UCB-c61058a9-27
0.462
JAG-UCB-c61058a9-5
0.461
ALP-POS-ce760d3f-7
0.454
EDG-MED-5d232de5-1
0.454
ALP-POS-696356e4-1
0.454
EDG-MED-5d232de5-2
0.454
ALF-EVA-ced740bd-3
0.452
JAG-UCB-c61058a9-14
0.451
ALF-EVA-a24cc7ce-2
0.448
ERI-UCB-b3e6b0c2-14
0.439
BEN-DND-4f474d93-2
0.439
ALP-POS-ce760d3f-3
0.439
ERI-UCB-b3e6b0c2-15
0.438
JAG-UCB-c61058a9-1
0.436
JAG-UCB-c61058a9-3
0.436
JAG-UCB-47403a7c-1
0.436
NAU-LAT-8502cac5-6
0.433
ALF-EVA-5b152d2f-2
0.430
MAT-POS-f7918075-1
0.429
MAT-POS-b3e365b9-2
0.429
VLA-UCB-1dbca3b4-15
0.429
MAT-POS-b3e365b9-1
0.429
RAL-THA-b9d6aec1-3
0.427
NAU-LAT-b7d8c353-1
0.427
MAT-POS-419aafdb-2
0.425
BEN-DND-c852c98b-4
0.424
EDJ-MED-ba7e64f2-1
0.424
ALF-EVA-5b152d2f-8
0.423
JOH-UNI-21fd6073-3
0.423
BEN-DND-c852c98b-5
0.422
MAT-POS-8293a91a-3
0.422
ERI-UCB-8d4e5055-4
0.422
MAT-POS-419aafdb-1
0.421
PET-UNK-e274cad4-7
0.420
BEN-DND-a7517465-5
0.420
NIR-THE-2069301b-1
0.417
BEN-DND-c852c98b-7
0.417
ALF-EVA-ced740bd-4
0.417
PET-UNK-03fd2068-1
0.416
BEN-DND-4f474d93-3
0.414
ALF-EVA-5b152d2f-3
0.414
BEN-DND-4f474d93-1
0.414
ALP-POS-ce760d3f-2
0.414
MIC-UNK-7574fcc6-2
0.414
DAR-DIA-b4e9dd8d-3
0.413
DAR-DIA-b4e9dd8d-6
0.413
DAR-DIA-b4e9dd8d-1
0.413
MAK-UNK-8be7dca9-7
0.412
DAR-DIA-6a508060-1
0.410
BEN-DND-c852c98b-6
0.410
MAT-POS-f9802937-7
0.408
MAT-POS-e69ad64a-2
0.408
BEN-DND-c852c98b-3
0.408
PET-UNK-ee8352fa-4
0.408
NIR-THE-47736cde-2
0.408
ALP-POS-82da25a3-2
0.408
NIR-THE-47736cde-1
0.408
MAK-UNK-3875bbc8-2
0.406
WIL-UCB-7ba4ac3a-2
0.406
RAL-THA-b9d6aec1-1
0.406
BEN-DND-c852c98b-2
0.406
BEN-DND-c852c98b-1
0.404
PET-UNK-064639eb-3
0.404
PET-UNK-064639eb-6
0.404
ALF-EVA-5b152d2f-4
0.402
MAK-UNK-8be7dca9-9
0.402
ALF-EVA-5b152d2f-7
0.400
PET-UNK-ee8352fa-5
0.400
DAR-DIA-5a24bef0-13
0.400
MAK-UNK-8be7dca9-8
0.400
JAG-UCB-571deb56-2
0.398
WIL-UCB-7ba4ac3a-1
0.398
PET-UNK-e274cad4-2
0.398
VLA-UCB-05e51b3f-4
0.398
VLA-UCB-50c39ae8-1
0.398
NIR-THE-af15c15d-1
0.396
ALP-POS-82da25a3-1
0.394
RAL-THA-b9d6aec1-2
0.393
PET-UNK-b38839dc-4
0.393
ADA-UCB-dc2b944c-16
0.392
MAT-POS-2e8b2191-2
0.392
MAT-POS-2e8b2191-3
0.392
NAU-LAT-b7d8c353-7
0.392
ALF-EVA-ced740bd-1
0.390
MAT-POS-7ddaf7de-2
0.390