Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@@H]3CCOc4cc(F)c(Cl)cc43)c2cn1 |
MW: | 387.08 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.34 |
cLogP: | 3.94 |
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
PET-UNK-f4e47ebd-7
0.742
PET-UNK-f4e47ebd-4
0.728
PET-UNK-03fd2068-2
0.677
MAT-POS-96f51285-3
0.674
EDJ-MED-611d11e7-9
0.674
EDJ-MED-611d11e7-12
0.667
MAT-POS-a5ef2d74-1
0.667
MAT-POS-ec6d90b7-3
0.667
PET-UNK-f4e47ebd-5
0.667
MAT-POS-96f51285-5
0.656
EDJ-MED-611d11e7-6
0.656
MAT-POS-ec6d90b7-7
0.656
RAL-THA-05e671eb-10
0.638
MAT-POS-a13804f0-2
0.638
MAT-POS-a13804f0-3
0.638
PET-UNK-f4e47ebd-6
0.638
ALP-POS-fe871b40-9
0.638
ALP-POS-d91e0300-1
0.638
EDJ-MED-611d11e7-3
0.622
MAT-POS-96f51285-4
0.622
PET-UNK-f4e47ebd-16
0.551
PET-UNK-2c6614b6-3
0.538
RAL-THA-05e671eb-11
0.530
ALP-UNI-3735e77e-3
0.530
PET-UNK-f4e47ebd-3
0.529
PET-UNK-f4e47ebd-22
0.528
ROB-UNI-6ee2df8c-1
0.510
RUB-POS-1325a9ea-10
0.510
PET-UNK-b38839dc-4
0.509
PET-UNK-b78139fa-3
0.505
PET-UNK-1e13ef09-4
0.505
PET-UNK-b38839dc-5
0.500
RYA-UNI-6d7114fd-1
0.500
ALP-POS-869ac754-1
0.500
VLA-UNK-56836b69-4
0.500
RAL-THA-05e671eb-2
0.500
PET-UNK-03fd2068-1
0.495
RAL-THA-05e671eb-9
0.495
PET-UNK-f4e47ebd-12
0.486
BEN-DND-d1eb1f41-13
0.481
PET-UNK-f4e47ebd-19
0.481
BEN-DND-02317c5c-4
0.481
ALF-EVA-5b152d2f-2
0.481
PET-UNK-ee8352fa-5
0.477
ALP-POS-696356e4-1
0.476
ALP-POS-ce760d3f-7
0.476
BEN-DND-d1eb1f41-18
0.476
EDG-MED-5d232de5-1
0.476
EDG-MED-5d232de5-2
0.476
ALP-POS-82da25a3-1
0.472
MAT-POS-f9802937-7
0.472
PET-UNK-81b485b5-14
0.468
PET-UNK-81b485b5-28
0.468
MAK-UNK-8be7dca9-9
0.467
WIL-UCB-7ba4ac3a-1
0.462
EDJ-MED-ba7e64f2-1
0.462
ALP-POS-ce760d3f-3
0.462
BEN-DND-4f474d93-2
0.462
BEN-DND-c852c98b-4
0.462
BEN-DND-d1eb1f41-11
0.458
JUL-TUD-06b2044f-66
0.455
ERI-UCB-8d4e5055-3
0.454
MAT-POS-7ddaf7de-2
0.454
ALF-EVA-ced740bd-1
0.454
MAK-UNK-8be7dca9-5
0.454
PET-UNK-b1ef24dc-8
0.452
JAG-UCB-571deb56-4
0.451
JAG-UCB-571deb56-5
0.450
PET-UNK-ee8352fa-6
0.450
RAL-THA-05e671eb-8
0.449
RAL-THA-05e671eb-14
0.449
JAG-UCB-571deb56-2
0.446
TET-ENA-382364b7-1
0.445
ALF-EVA-5b152d2f-8
0.445
TET-ENA-1a76f195-1
0.445
MAK-UNK-8be7dca9-2
0.445
PET-UNK-7f7e354d-1
0.443
PET-UNK-b566c0b0-4
0.441
PET-UNK-6314f867-1
0.440
BEN-DND-c852c98b-7
0.440
PET-UNK-f4e47ebd-31
0.440
JAG-UCB-571deb56-6
0.440
ALP-POS-ce760d3f-2
0.438
RAL-THA-05e671eb-4
0.438
MAT-POS-b3e365b9-2
0.438
MAT-POS-b3e365b9-1
0.438
RAL-THA-05e671eb-3
0.438
VLA-UCB-1dbca3b4-15
0.438
MAT-POS-f7918075-1
0.438
ADA-UCB-dc2b944c-7
0.438
BEN-DND-4f474d93-1
0.438
BEN-DND-4f474d93-3
0.438
MAT-POS-1ecf5680-1
0.438
MAT-POS-1ecf5680-2
0.438
ALF-EVA-5b152d2f-5
0.436
MAK-UNK-8be7dca9-7
0.435
MAT-POS-d8472c4f-6
0.435
MAT-POS-14f31916-1
0.435
ROB-UNI-afd54964-1
0.434
BEN-DND-c852c98b-6
0.432