Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@@H]1CCOc2cc(F)c(Cl)cc21 |
MW: | 374.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-03fd2068-1
0.741
MAT-POS-a13804f0-2
0.741
EDJ-MED-611d11e7-6
0.741
MAT-POS-ec6d90b7-7
0.741
ALP-POS-fe871b40-9
0.741
MAT-POS-a13804f0-3
0.741
MAT-POS-96f51285-5
0.741
ALP-POS-d91e0300-1
0.741
RAL-THA-05e671eb-10
0.741
PET-UNK-f4e47ebd-6
0.721
PET-UNK-f4e47ebd-8
0.677
EDJ-MED-611d11e7-12
0.674
MAT-POS-a5ef2d74-1
0.674
MAT-POS-ec6d90b7-3
0.674
PET-UNK-f4e47ebd-5
0.674
MAT-POS-96f51285-4
0.645
EDJ-MED-611d11e7-3
0.645
EDJ-MED-611d11e7-9
0.645
MAT-POS-96f51285-3
0.645
PET-UNK-f4e47ebd-7
0.625
RAL-THA-05e671eb-11
0.615
ALP-UNI-3735e77e-3
0.615
RYA-UNI-6d7114fd-1
0.582
ALP-POS-869ac754-1
0.582
RAL-THA-05e671eb-2
0.582
RAL-THA-05e671eb-9
0.574
VLA-UNK-56836b69-4
0.565
MAK-UNK-8be7dca9-9
0.558
ALP-POS-696356e4-1
0.553
ALP-POS-ce760d3f-7
0.553
EDG-MED-5d232de5-1
0.553
EDG-MED-5d232de5-2
0.553
BEN-DND-f06bfa8e-1
0.552
BEN-DND-f06bfa8e-4
0.546
ALP-POS-82da25a3-1
0.546
MAK-UNK-8be7dca9-2
0.545
ROB-UNI-6ee2df8c-1
0.543
PET-UNK-6314f867-1
0.541
MAK-UNK-8be7dca9-5
0.541
BEN-DND-d1eb1f41-18
0.537
ALF-EVA-5b152d2f-5
0.535
MAT-POS-86c60949-1
0.531
PET-UNK-2c6614b6-5
0.531
EDJ-MED-b7309adf-1
0.531
ALF-EVA-5b152d2f-8
0.530
PET-UNK-03fd2068-6
0.529
MAT-POS-b3e365b9-2
0.526
RAL-THA-05e671eb-13
0.526
RAL-THA-05e671eb-4
0.526
VLA-UCB-1dbca3b4-15
0.526
MAT-POS-f7918075-1
0.526
MAT-POS-b3e365b9-1
0.526
ADA-UCB-dc2b944c-7
0.526
MAT-POS-7ddaf7de-2
0.525
ERI-UCB-8d4e5055-3
0.525
JAG-UCB-571deb56-5
0.520
MAT-POS-1ecf5680-2
0.520
JAG-UCB-571deb56-4
0.519
BEN-DND-d1eb1f41-11
0.515
TET-ENA-382364b7-1
0.515
JAG-UCB-571deb56-2
0.515
BEN-DND-4f474d93-1
0.510
BEN-DND-4f474d93-3
0.510
ALP-POS-ce760d3f-2
0.510
RAL-THA-05e671eb-3
0.510
MAK-UNK-8be7dca9-1
0.509
ERI-UCB-8d4e5055-1
0.509
WIL-UCB-7ba4ac3a-1
0.505
PET-UNK-ee8352fa-5
0.505
MAT-POS-1ecf5680-1
0.505
JAG-UCB-571deb56-6
0.505
PET-UNK-b78139fa-5
0.500
JAG-UCB-571deb56-1
0.495
PET-UNK-b38839dc-4
0.495
BEN-DND-d1eb1f41-13
0.495
PET-UNK-1e13ef09-1
0.495
RUB-POS-1325a9ea-10
0.495
ALF-EVA-5b152d2f-2
0.495
MIC-UNK-7574fcc6-2
0.495
PET-UNK-03fd2068-8
0.490
JOH-SUS-a69c159d-5
0.490
EDJ-MED-ba7e64f2-1
0.490
BEN-DND-c852c98b-4
0.490
JAG-UCB-571deb56-7
0.486
PET-UNK-f4e47ebd-4
0.485
PET-UNK-b38839dc-5
0.485
ALP-POS-6f6ae286-1
0.485
PET-UNK-7279c968-5
0.485
MAT-POS-7ddaf7de-3
0.482
ERI-UCB-8d4e5055-6
0.482
MAK-UNK-8be7dca9-7
0.475
ALP-POS-ce760d3f-3
0.475
ROB-UNI-afd54964-1
0.475
BEN-DND-4f474d93-2
0.475
MAT-POS-7ddaf7de-1
0.473
JAG-UCB-571deb56-3
0.473
MAT-POS-8293a91a-3
0.471
PET-UNK-03fd2068-4
0.467
PET-UNK-407a74a5-15
0.466
BEN-DND-c852c98b-7
0.466