Molecular Properties | |
SMILES: | O=C(Nc1cccc2cnccc12)C1CCOc2c(F)cccc21 |
MW: | 322.11 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-05e671eb-22
0.642
UNK-UNK-2ede4078-50
0.541
ALF-EVA-a24cc7ce-1
0.528
UNK-UNK-2ede4078-56
0.517
BRU-THA-a358fbdd-7
0.488
UNK-UNK-2ede4078-32
0.453
ALP-POS-c86619f0-1
0.453
UNK-UNK-2ede4078-23
0.448
RAL-THA-05e671eb-21
0.446
PET-UNK-f4e47ebd-6
0.443
RAL-THA-05e671eb-17
0.443
BEN-DND-4f474d93-1
0.442
BEN-DND-4f474d93-3
0.442
ALP-POS-ce760d3f-2
0.442
RAL-THA-05e671eb-24
0.427
RAL-THA-05e671eb-23
0.427
ALP-POS-869ac754-2
0.426
VLA-UNK-56836b69-4
0.417
RAL-THA-05e671eb-18
0.400
RAL-THA-05e671eb-13
0.398
VLA-UNK-9a7dc93f-4
0.392
RAL-THA-05e671eb-11
0.390
ALP-POS-ce760d3f-1
0.390
ALP-UNI-3735e77e-3
0.390
RAL-THA-05e671eb-1
0.389
ALP-POS-fe871b40-9
0.386
RAL-THA-05e671eb-10
0.386
MAT-POS-a13804f0-3
0.386
MAT-POS-a13804f0-2
0.386
ALP-POS-d91e0300-1
0.386
MAT-POS-b3e365b9-2
0.384
ADA-UCB-dc2b944c-7
0.384
RAL-THA-05e671eb-3
0.384
RAL-THA-05e671eb-33
0.384
RAL-THA-05e671eb-4
0.384
MAT-POS-b3e365b9-1
0.384
MAT-POS-f7918075-1
0.384
VLA-UCB-1dbca3b4-15
0.384
MAT-POS-a5ef2d74-1
0.382
EDJ-MED-611d11e7-12
0.382
MAT-POS-ec6d90b7-3
0.382
PET-UNK-f4e47ebd-5
0.382
BEN-DND-4f474d93-2
0.380
ALP-POS-ce760d3f-7
0.380
ALP-POS-696356e4-1
0.380
RAL-THA-05e671eb-16
0.380
ALP-POS-ce760d3f-3
0.380
ALP-UNI-3735e77e-2
0.380
EDG-MED-5d232de5-1
0.380
UNK-UNK-2ede4078-35
0.380
ROB-UNI-afd54964-1
0.380
EDG-MED-5d232de5-2
0.380
UNK-UNK-2ede4078-30
0.378
BEN-DND-a7517465-5
0.376
UNK-UNK-2ede4078-61
0.375
PET-UNK-03fd2068-1
0.373
RAL-THA-05e671eb-9
0.373
ALF-EVA-5b152d2f-2
0.373
UNK-UNK-2ede4078-51
0.372
EDJ-MED-12f7f543-1
0.370
PET-UNK-c0891748-2
0.370
PET-UNK-c0891748-8
0.370
ALP-POS-fe871b40-5
0.370
RAL-THA-05e671eb-25
0.370
ADA-UCB-dc2b944c-5
0.366
RAL-THA-05e671eb-12
0.366
RAL-THA-05e671eb-15
0.366
RAL-THA-05e671eb-5
0.366
EDJ-MED-e4b030d8-5
0.365
MAT-POS-43fe65f4-1
0.365
RAL-THA-05e671eb-19
0.365
EDJ-MED-e4b030d8-7
0.365
DAR-DIA-6a508060-4
0.365
RAL-THA-05e671eb-20
0.362
ALP-POS-fe871b40-1
0.362
EDJ-MED-e4b030d8-4
0.361
LAU-MED-88a3970a-8
0.361
LAU-MED-88a3970a-7
0.361
BRU-CON-c4e3408a-1
0.361
MAT-POS-b3e365b9-3
0.361
MAT-POS-b3e365b9-4
0.361
JAN-GHE-f4ca5a00-13
0.361
DAR-DIA-6a508060-6
0.361
ALP-POS-869ac754-1
0.360
RAL-THA-05e671eb-2
0.360
RYA-UNI-6d7114fd-1
0.360
MAT-POS-ec6d90b7-7
0.359
EDJ-MED-611d11e7-6
0.359
MAT-POS-96f51285-5
0.359
MIC-UNK-08fa0751-1
0.358
UNK-UNK-2ede4078-22
0.357
RAL-THA-05e671eb-14
0.356
RAL-THA-05e671eb-6
0.356
BEN-DND-a7517465-1
0.356
LAU-MED-88a3970a-5
0.355
LAU-MED-88a3970a-6
0.355
MAT-POS-11b63608-1
0.353
NAU-LAT-b7d8c353-5
0.352
PET-UNK-03fd2068-2
0.352
BEN-DND-c852c98b-2
0.352