Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21 |
MW: | 357.07 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
VLA-UNK-56836b69-4
0.797
MAT-POS-ec6d90b7-3
0.750
MAT-POS-a5ef2d74-1
0.750
EDJ-MED-611d11e7-12
0.750
PET-UNK-f4e47ebd-5
0.750
ALP-POS-fe871b40-9
0.738
MAT-POS-a13804f0-3
0.738
MAT-POS-a13804f0-2
0.738
ALP-POS-d91e0300-1
0.738
RAL-THA-05e671eb-10
0.738
PET-UNK-03fd2068-2
0.721
ALP-POS-ce760d3f-2
0.702
BEN-DND-4f474d93-1
0.702
BEN-DND-4f474d93-3
0.702
MAT-POS-ec6d90b7-7
0.698
MAT-POS-96f51285-5
0.698
EDJ-MED-611d11e7-6
0.698
EDJ-MED-611d11e7-9
0.678
MAT-POS-96f51285-3
0.678
PET-UNK-f4e47ebd-7
0.674
EDJ-MED-611d11e7-3
0.659
MAT-POS-96f51285-4
0.659
PET-UNK-f4e47ebd-8
0.638
RAL-THA-05e671eb-11
0.611
ALP-UNI-3735e77e-3
0.611
RAL-THA-05e671eb-2
0.578
ALP-POS-869ac754-1
0.578
RYA-UNI-6d7114fd-1
0.578
ROB-UNI-6ee2df8c-1
0.554
RAL-THA-05e671eb-9
0.553
ALP-UNI-8d415491-3
0.533
BEN-DND-d1eb1f41-18
0.532
PET-UNK-03fd2068-1
0.521
PET-UNK-f4e47ebd-14
0.520
ALP-POS-ce760d3f-3
0.516
BEN-DND-4f474d93-2
0.516
BEN-DND-d1eb1f41-11
0.510
MAT-POS-b3e365b9-1
0.505
VLA-UCB-1dbca3b4-15
0.505
MAT-POS-f7918075-1
0.505
MAT-POS-b3e365b9-2
0.505
RAL-THA-05e671eb-3
0.505
ALF-EVA-5b152d2f-2
0.505
MAK-UNK-8be7dca9-9
0.505
EDG-MED-5d232de5-2
0.500
EDG-MED-5d232de5-1
0.500
ALP-POS-ce760d3f-7
0.500
PET-UNK-2c6614b6-9
0.500
ALP-POS-696356e4-1
0.500
ALP-POS-82da25a3-1
0.495
BEN-DND-34fc7f90-1
0.495
BEN-DND-d1eb1f41-13
0.490
MAK-UNK-8be7dca9-5
0.490
RAL-THA-05e671eb-13
0.490
RAL-THA-05e671eb-4
0.490
ADA-UCB-dc2b944c-7
0.490
ALF-EVA-5b152d2f-5
0.485
EDJ-MED-ba7e64f2-1
0.485
BEN-DND-c852c98b-4
0.485
MAK-UNK-8be7dca9-2
0.480
ALF-EVA-5b152d2f-8
0.480
PET-UNK-f4e47ebd-21
0.480
BEN-DND-34fc7f90-7
0.479
ERI-UCB-8d4e5055-3
0.475
MAT-POS-7ddaf7de-2
0.475
PET-UNK-6314f867-1
0.475
ADA-UCB-dc2b944c-8
0.475
BEN-DND-02317c5c-4
0.475
JAG-UCB-571deb56-4
0.472
JAG-UCB-571deb56-5
0.471
PET-UNK-ee8352fa-6
0.471
PET-UNK-ee8352fa-5
0.471
MAK-UNK-8be7dca9-7
0.470
ADA-UCB-dc2b944c-5
0.469
RAL-THA-05e671eb-5
0.469
PET-UNK-b78139fa-9
0.469
JAG-UCB-571deb56-2
0.467
BEN-DND-c852c98b-6
0.466
TET-ENA-382364b7-1
0.466
PET-UNK-f4e47ebd-3
0.466
MAT-POS-8293a91a-3
0.465
BEN-DND-c852c98b-3
0.465
MAT-POS-f9802937-7
0.465
PET-UNK-1e13ef09-5
0.465
BEN-DND-34fc7f90-4
0.465
JUL-TUD-06b2044f-66
0.462
BEN-DND-c852c98b-2
0.462
PET-UNK-b38839dc-4
0.462
BEN-DND-c852c98b-7
0.461
RUB-POS-1325a9ea-10
0.461
JUL-TUD-06b2044f-46
0.460
DAR-DIA-6a508060-8
0.460
MIC-UNK-7574fcc6-2
0.459
JAG-UCB-571deb56-6
0.459
MAT-POS-1ecf5680-1
0.457
MAT-POS-1ecf5680-2
0.457
WIL-UCB-7ba4ac3a-1
0.455
RAL-THA-05e671eb-14
0.455
RAL-THA-05e671eb-6
0.455
RAL-THA-05e671eb-12
0.455