Molecular Properties | |
SMILES: | COc1cc(Cl)c2c(NC(=O)C3CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 402.05 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 5.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-f7918075-2
BEN-DND-a7517465-3
0.713
ALF-EVA-ced740bd-1
0.700
BEN-DND-a7517465-6
0.692
BEN-DND-a7517465-2
0.674
BEN-DND-a7517465-1
0.659
BEN-DND-a7517465-5
0.656
MAT-POS-f9802937-7
0.652
MIC-UNK-7574fcc6-2
0.652
PET-UNK-b38839dc-5
0.615
RUB-POS-1325a9ea-10
0.611
PET-UNK-ee8352fa-4
0.600
PET-UNK-f4e47ebd-3
0.598
PET-UNK-b38839dc-4
0.592
PET-UNK-e274cad4-7
0.585
BEN-DND-c852c98b-3
0.583
PET-UNK-f4e47ebd-4
0.582
MAT-POS-b3e365b9-1
0.581
MAT-POS-b3e365b9-2
0.581
VLA-UCB-1dbca3b4-15
0.581
MAT-POS-f7918075-1
0.581
ALF-EVA-5b152d2f-2
0.579
EDG-MED-5d232de5-2
0.574
ALP-POS-696356e4-1
0.574
ALP-POS-ce760d3f-7
0.574
EDJ-MED-ba7e64f2-1
0.574
BEN-DND-c852c98b-4
0.574
EDG-MED-5d232de5-1
0.574
MAT-POS-7ddaf7de-4
0.571
MAT-POS-afb6844f-1
0.571
ALP-POS-82da25a3-1
0.567
BEN-DND-c852c98b-5
0.567
ERI-UCB-8d4e5055-4
0.567
BEN-DND-c852c98b-6
0.566
BEN-DND-4f474d93-1
0.564
ALP-POS-ce760d3f-2
0.564
PET-UNK-b1ef24dc-5
0.564
BEN-DND-4f474d93-3
0.564
MAK-UNK-8be7dca9-5
0.561
MAT-POS-b3e365b9-3
0.560
DAR-DIA-6a508060-6
0.560
MAT-POS-b3e365b9-4
0.560
BRU-CON-c4e3408a-1
0.560
JAN-GHE-f4ca5a00-13
0.560
BEN-DND-c852c98b-2
0.560
MAT-POS-afb6844f-2
0.559
ALP-POS-ce760d3f-3
0.558
BEN-DND-4f474d93-2
0.558
MAK-UNK-8be7dca9-7
0.557
PET-UNK-e274cad4-2
0.557
WIL-UCB-7ba4ac3a-1
0.557
PET-UNK-ee8352fa-5
0.556
PET-UNK-ee8352fa-6
0.556
ALF-EVA-5b152d2f-7
0.556
RAL-THA-b9d6aec1-3
0.556
PET-UNK-b1ef24dc-6
0.552
JOH-UNI-f51e3bbc-2
0.551
MAT-POS-8293a91a-3
0.551
ALP-POS-82da25a3-2
0.551
MAT-POS-14f31916-4
0.551
TET-ENA-1a76f195-1
0.550
EDJ-MED-fb4b7746-4
0.550
EDG-MED-0e5afe9d-1
0.550
MAK-UNK-919546f0-1
0.548
MAK-UNK-f481d203-1
0.548
MAK-UNK-f481d203-2
0.548
MAT-POS-afb6844f-3
0.547
PET-UNK-b1ef24dc-8
0.547
EDJ-MED-fb4b7746-2
0.546
ADA-UCB-dc2b944c-8
0.546
MAK-UNK-8be7dca9-9
0.546
PET-UNK-03fd2068-1
0.546
EDJ-MED-fb4b7746-3
0.546
EDG-MED-0e5afe9d-2
0.546
BEN-DND-c852c98b-1
0.545
BEN-DND-c852c98b-7
0.545
MAT-POS-7ddaf7de-2
0.545
ERI-UCB-8d4e5055-3
0.545
RAL-THA-b9d6aec1-1
0.545
RAL-THA-b9d6aec1-2
0.545
PET-UNK-b38839dc-3
0.542
MAK-UNK-8be7dca9-8
0.540
ALF-EVA-5b152d2f-5
0.540
MIC-UNK-b904ca85-3
0.540
JAG-UCB-571deb56-5
0.539
ALP-POS-b3e0acc5-2
0.537
MIC-UNK-b904ca85-2
0.536
TET-ENA-382364b7-1
0.535
ALF-EVA-5b152d2f-8
0.535
MAT-POS-ee5e8e94-1
0.535
MAK-UNK-8be7dca9-2
0.535
JAG-UCB-571deb56-2
0.534
LON-WEI-0a73fcb8-7
0.532
ERI-UCB-9c7ec71b-2
0.532
EDJ-MED-e9694d2b-1
0.532
MAT-POS-1f3c8e6f-1
0.532
MAT-POS-a2421bb6-1
0.531
EDJ-MED-51d3200d-3
0.531
PET-UNK-b1ef24dc-7
0.531
MAT-POS-afb6844f-4
0.531
MAT-POS-a2421bb6-3
0.530