Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)c(F)cc12)[C@H]1CCOc2ccccc21 |
MW: | 340.1 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-05e671eb-1
0.679
PET-UNK-ee8352fa-5
0.542
PET-UNK-b38839dc-4
0.531
EDG-MED-5d232de5-2
0.527
ALP-POS-696356e4-1
0.527
EDG-MED-5d232de5-1
0.527
ALP-POS-ce760d3f-7
0.527
RAL-THA-05e671eb-13
0.516
RAL-THA-05e671eb-4
0.516
ADA-UCB-dc2b944c-7
0.516
PET-UNK-03fd2068-1
0.516
RAL-THA-05e671eb-6
0.510
BEN-DND-c852c98b-3
0.505
MAT-POS-8293a91a-3
0.505
MAT-POS-b3e365b9-2
0.500
MAT-POS-b3e365b9-1
0.500
MAT-POS-f7918075-1
0.500
VLA-UCB-1dbca3b4-15
0.500
RAL-THA-05e671eb-3
0.500
WIL-UCB-7ba4ac3a-1
0.495
PET-UNK-2c6614b6-7
0.495
ALP-POS-82da25a3-2
0.490
RAL-THA-05e671eb-11
0.490
ALP-UNI-3735e77e-3
0.490
RUB-POS-1325a9ea-10
0.485
ALP-POS-d91e0300-1
0.485
MAT-POS-a13804f0-3
0.485
RAL-THA-05e671eb-10
0.485
DAR-DIA-6a508060-8
0.485
MAK-UNK-8be7dca9-9
0.485
ALP-POS-fe871b40-9
0.485
ALF-EVA-5b152d2f-2
0.485
EDJ-MED-611d11e7-6
0.485
MAT-POS-ec6d90b7-7
0.485
MAT-POS-a13804f0-2
0.485
MAT-POS-96f51285-5
0.485
ALF-EVA-5b152d2f-7
0.480
MAK-UNK-8be7dca9-8
0.480
ALF-EVA-5b152d2f-5
0.480
RAL-THA-05e671eb-15
0.479
MAT-POS-11b63608-1
0.479
BEN-DND-c852c98b-4
0.479
ADA-UCB-dc2b944c-5
0.479
RAL-THA-05e671eb-12
0.479
RAL-THA-05e671eb-5
0.479
EDJ-MED-ba7e64f2-1
0.479
BEN-DND-c852c98b-6
0.475
PET-UNK-b38839dc-5
0.475
ALP-POS-82da25a3-1
0.475
PET-UNK-03fd2068-2
0.475
RAL-THA-05e671eb-22
0.473
PET-UNK-6314f867-1
0.470
BEN-DND-c852c98b-7
0.470
MAK-UNK-8be7dca9-5
0.470
ERI-UCB-8d4e5055-3
0.470
MAT-POS-7ddaf7de-2
0.470
RAL-THA-05e671eb-7
0.469
DAR-DIA-6a508060-3
0.469
BEN-DND-4f474d93-1
0.469
BEN-DND-4f474d93-3
0.469
ALP-POS-ce760d3f-2
0.469
MAT-POS-1ecf5680-1
0.466
JAG-UCB-571deb56-5
0.466
PET-UNK-ee8352fa-6
0.465
MAK-UNK-8be7dca9-7
0.465
RAL-THA-05e671eb-14
0.465
RAL-THA-05e671eb-8
0.465
PET-UNK-b78139fa-6
0.464
ALP-POS-c86619f0-1
0.464
ALF-EVA-5b152d2f-8
0.461
TET-ENA-382364b7-1
0.461
MAK-UNK-8be7dca9-2
0.461
ANT-OPE-3d7cb11b-1
0.461
BEN-DND-c852c98b-5
0.460
MAT-POS-f9802937-7
0.460
ERI-UCB-8d4e5055-4
0.460
PET-UNK-ee8352fa-4
0.460
RYA-UNI-6d7114fd-1
0.458
ALP-POS-869ac754-1
0.458
RAL-THA-05e671eb-2
0.458
BEN-DND-c852c98b-2
0.456
BEN-DND-c852c98b-1
0.455
PET-UNK-f4e47ebd-6
0.455
MIC-UNK-7574fcc6-2
0.454
ROB-UNI-6ee2df8c-1
0.454
MAT-POS-1ecf5680-2
0.452
ANT-OPE-66a89c65-2
0.452
RAL-THA-b9d6aec1-3
0.451
EDJ-MED-0e996074-1
0.451
EDJ-MED-2c295496-1
0.451
ALP-POS-ce760d3f-3
0.449
BEN-DND-4f474d93-2
0.449
JAG-UCB-571deb56-2
0.448
EDJ-MED-611d11e7-9
0.447
PET-UNK-f4e47ebd-3
0.447
EDJ-MED-611d11e7-3
0.447
MAT-POS-96f51285-3
0.447
MAT-POS-96f51285-4
0.447
PET-UNK-f4e47ebd-4
0.447
VLA-UNK-9a7dc93f-4
0.446