Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CCOc4cc(F)c(Cl)cc43)cncc2cn1 |
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-8
0.742
PET-UNK-f4e47ebd-3
0.728
MAT-POS-96f51285-3
0.710
EDJ-MED-611d11e7-9
0.710
EDJ-MED-611d11e7-6
0.674
MAT-POS-ec6d90b7-7
0.674
MAT-POS-96f51285-5
0.674
PET-UNK-f4e47ebd-6
0.674
EDJ-MED-611d11e7-3
0.656
MAT-POS-96f51285-4
0.656
RAL-THA-05e671eb-10
0.638
ALP-POS-fe871b40-9
0.638
ALP-POS-d91e0300-1
0.638
MAT-POS-a13804f0-3
0.638
MAT-POS-a13804f0-2
0.638
PET-UNK-f4e47ebd-5
0.632
EDJ-MED-611d11e7-12
0.632
MAT-POS-a5ef2d74-1
0.632
MAT-POS-ec6d90b7-3
0.632
PET-UNK-03fd2068-2
0.625
PET-UNK-f4e47ebd-15
0.551
ROB-UNI-6ee2df8c-1
0.541
PET-UNK-2c6614b6-2
0.538
VLA-UNK-56836b69-4
0.531
RAL-THA-05e671eb-11
0.530
ALP-UNI-3735e77e-3
0.530
PET-UNK-f4e47ebd-4
0.529
PET-UNK-f4e47ebd-23
0.523
PET-UNK-ee8352fa-6
0.519
ALF-EVA-5b152d2f-2
0.510
RUB-POS-1325a9ea-10
0.510
PET-UNK-b38839dc-4
0.509
PET-UNK-b78139fa-2
0.505
PET-UNK-1e13ef09-3
0.505
RAL-THA-05e671eb-2
0.500
RYA-UNI-6d7114fd-1
0.500
ALP-POS-869ac754-1
0.500
PET-UNK-7279c968-6
0.500
PET-UNK-b38839dc-5
0.500
MAT-POS-f9802937-7
0.500
BEN-DND-d1eb1f41-13
0.495
RAL-THA-05e671eb-9
0.495
BEN-DND-d1eb1f41-18
0.490
EDG-MED-5d232de5-1
0.490
ALP-POS-ce760d3f-7
0.490
EDG-MED-5d232de5-2
0.490
ALP-POS-696356e4-1
0.490
PET-UNK-f4e47ebd-11
0.482
PET-UNK-f4e47ebd-18
0.477
PET-UNK-ee8352fa-5
0.477
EDJ-MED-ba7e64f2-1
0.476
BEN-DND-c852c98b-4
0.476
BEN-DND-d1eb1f41-11
0.472
BEN-DND-02317c5c-4
0.467
ALP-POS-ce760d3f-2
0.466
BEN-DND-4f474d93-3
0.466
BEN-DND-4f474d93-1
0.466
PET-UNK-81b485b5-13
0.464
PET-UNK-81b485b5-27
0.464
WIL-UCB-7ba4ac3a-1
0.462
MAK-UNK-8be7dca9-7
0.462
BEN-DND-c852c98b-6
0.459
MAT-POS-8293a91a-3
0.458
PET-UNK-ee8352fa-4
0.458
BEN-DND-c852c98b-3
0.458
BEN-DND-c852c98b-5
0.458
ERI-UCB-8d4e5055-4
0.458
JUL-TUD-06b2044f-66
0.455
BEN-DND-c852c98b-2
0.455
ALF-EVA-ced740bd-1
0.454
BEN-DND-c852c98b-7
0.454
PET-UNK-03fd2068-1
0.453
RAL-THA-05e671eb-14
0.449
TET-ENA-1a76f195-1
0.445
ALP-POS-82da25a3-1
0.444
ALP-POS-82da25a3-2
0.444
RAL-THA-b9d6aec1-2
0.441
RAL-THA-b9d6aec1-1
0.441
BEN-DND-c852c98b-1
0.440
MAK-UNK-8be7dca9-9
0.439
PET-UNK-19e211a9-7
0.439
RAL-THA-05e671eb-13
0.438
RAL-THA-05e671eb-4
0.438
VLA-UCB-1dbca3b4-15
0.438
MAT-POS-f7918075-1
0.438
MIC-UNK-7574fcc6-2
0.438
MAT-POS-b3e365b9-2
0.438
MAT-POS-b3e365b9-1
0.438
RAL-THA-05e671eb-3
0.438
ADA-UCB-dc2b944c-7
0.438
ALF-EVA-ced740bd-2
0.436
ALF-EVA-5b152d2f-7
0.436
RAL-THA-b9d6aec1-3
0.436
MAK-UNK-8be7dca9-8
0.436
RAL-THA-05e671eb-8
0.435
ROB-UNI-afd54964-1
0.434
BEN-DND-4f474d93-2
0.434
ALP-POS-ce760d3f-3
0.434
PET-UNK-b566c0b0-3
0.434
PET-UNK-f4e47ebd-30
0.432