Molecular Properties | |
SMILES: | O=C(Nc1nccc2cnccc12)C1COc2ccc(Cl)cc21 |
MW: | 325.06 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALF-EVA-a24cc7ce-1
0.624
JAG-UCB-a3ef7265-3
0.517
EDJ-MED-12c115cc-2
0.517
EDJ-MED-12c115cc-1
0.517
MAT-POS-f7918075-2
0.517
MAT-POS-bbbbc21a-2
0.517
ALF-EVA-a24cc7ce-4
0.511
MAR-UCB-6ab2ec87-5
0.505
ERI-UCB-b3e6b0c2-1
0.495
JAG-UCB-c61058a9-5
0.483
MIC-UNK-deda7a44-5
0.472
NAU-LAT-8502cac5-2
0.472
JAG-UCB-c61058a9-14
0.472
JAG-UCB-c61058a9-18
0.472
ERI-UCB-b3e6b0c2-10
0.469
JAG-UCB-c61058a9-27
0.467
ERI-UCB-b3e6b0c2-7
0.456
BEN-DND-4f474d93-3
0.448
ALP-POS-ce760d3f-2
0.448
BEN-DND-4f474d93-1
0.448
ERI-UCB-b3e6b0c2-15
0.442
JAG-UCB-47403a7c-1
0.441
JAG-UCB-c61058a9-3
0.441
JAG-UCB-c61058a9-1
0.441
BEN-DND-4f474d93-2
0.429
ALP-POS-ce760d3f-3
0.429
ERI-UCB-b3e6b0c2-6
0.426
NAU-LAT-8502cac5-6
0.423
JAG-UCB-52b62a6f-16
0.420
ERI-UCB-b3e6b0c2-14
0.417
MAT-POS-500f4700-1
0.412
ALF-EVA-a24cc7ce-2
0.408
UNK-UNK-2ede4078-50
0.400
JOH-UNI-21fd6073-3
0.400
NIR-THE-2069301b-1
0.394
NIR-THE-47736cde-1
0.385
MAT-POS-e69ad64a-2
0.385
RAL-THA-9041a04d-7
0.385
NIR-THE-47736cde-2
0.385
ALF-EVA-ced740bd-3
0.381
MAT-POS-b3e365b9-4
0.381
MAT-POS-b3e365b9-3
0.381
DAR-DIA-6a508060-6
0.381
JAN-GHE-f4ca5a00-13
0.381
BRU-CON-c4e3408a-1
0.381
JOH-UNI-1b27fa5e-2
0.379
ALF-EVA-5b152d2f-2
0.379
DAR-DIA-b4e9dd8d-6
0.378
DAR-DIA-b4e9dd8d-3
0.378
DAR-DIA-b4e9dd8d-1
0.378
ALF-EVA-5b152d2f-3
0.376
MAT-POS-b3e365b9-1
0.376
MAT-POS-f7918075-1
0.376
VLA-UCB-1dbca3b4-15
0.376
MAT-POS-b3e365b9-2
0.376
ALF-EVA-5b152d2f-8
0.374
NIR-THE-af15c15d-1
0.374
LON-WEI-0a73fcb8-7
0.374
EDJ-MED-e9694d2b-1
0.374
ERI-UCB-9c7ec71b-2
0.374
MAK-UNK-919546f0-1
0.374
MAK-UNK-f481d203-1
0.374
MAK-UNK-f481d203-2
0.374
ALP-POS-ce760d3f-7
0.373
EDG-MED-5d232de5-2
0.373
PET-UNK-2c6614b6-9
0.373
BEN-DND-c852c98b-4
0.373
ALP-POS-696356e4-1
0.373
EDG-MED-5d232de5-1
0.373
EDJ-MED-ba7e64f2-1
0.373
ERI-UCB-8d4e5055-4
0.371
BEN-DND-c852c98b-3
0.371
RAL-THA-9041a04d-2
0.371
BEN-DND-c852c98b-5
0.371
RAL-THA-b9d6aec1-1
0.370
BEN-DND-a7517465-5
0.369
PET-UNK-e274cad4-7
0.369
PET-UNK-2c6614b6-8
0.365
ALF-EVA-5b152d2f-1
0.365
PET-UNK-158bee2a-7
0.365
PET-UNK-ee8352fa-6
0.364
RAL-THA-b9d6aec1-3
0.364
ALF-EVA-ced740bd-4
0.364
EDJ-MED-51d3200d-3
0.363
PET-UNK-b1ef24dc-7
0.363
MAK-UNK-8be7dca9-7
0.362
WIL-UCB-7ba4ac3a-1
0.362
JAG-UCB-52b62a6f-18
0.362
ADA-UCB-dc2b944c-9
0.362
ADA-UCB-dc2b944c-10
0.362
TET-ENA-382364b7-1
0.361
RAL-THA-3d7a794f-4
0.361
RAL-THA-9041a04d-5
0.359
JAG-UCB-52b62a6f-17
0.359
RAL-THA-9041a04d-6
0.359
ALP-POS-82da25a3-2
0.358
PET-UNK-ee8352fa-4
0.358
MAT-POS-8293a91a-3
0.358
MAT-POS-f9802937-7
0.358
ALP-POS-82da25a3-1
0.358