Molecular Properties | |
SMILES: | Cc1cccc2cncc(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)c12 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a7517465-5
0.738
BEN-DND-a7517465-3
0.738
BEN-DND-a7517465-2
0.738
BEN-DND-a7517465-6
0.716
ALF-EVA-ced740bd-1
0.667
ALF-EVA-ced740bd-2
0.659
MIC-UNK-7574fcc6-2
0.655
MAT-POS-b3e365b9-2
0.618
MAT-POS-f7918075-1
0.618
VLA-UCB-1dbca3b4-15
0.618
MAT-POS-b3e365b9-1
0.618
MAT-POS-b3e365b9-4
0.616
BRU-CON-c4e3408a-1
0.616
DAR-DIA-6a508060-6
0.616
JAN-GHE-f4ca5a00-13
0.616
MAT-POS-b3e365b9-3
0.616
MAT-POS-afb6844f-2
0.614
MAT-POS-afb6844f-1
0.609
MAT-POS-7ddaf7de-4
0.609
PET-UNK-e274cad4-7
0.604
PET-UNK-ee8352fa-4
0.602
BEN-DND-4f474d93-1
0.600
ALP-POS-ce760d3f-2
0.600
BEN-DND-4f474d93-3
0.600
ALF-EVA-5b152d2f-2
0.598
EDG-MED-5d232de5-1
0.593
ALP-POS-ce760d3f-7
0.593
ALP-POS-696356e4-1
0.593
EDG-MED-5d232de5-2
0.593
PET-UNK-ee8352fa-6
0.589
PET-UNK-ee8352fa-5
0.589
MAT-POS-14f31916-4
0.585
PET-UNK-b1ef24dc-5
0.582
MAT-POS-afb6844f-3
0.582
MAT-POS-afb6844f-4
0.582
PET-UNK-03fd2068-1
0.581
MAK-UNK-8be7dca9-9
0.581
MAK-UNK-8be7dca9-5
0.579
EDJ-MED-ba7e64f2-1
0.576
BEN-DND-4f474d93-2
0.576
BEN-DND-c852c98b-4
0.576
ALP-POS-ce760d3f-3
0.576
PET-UNK-e274cad4-2
0.574
MAT-POS-8293a91a-1
0.573
MAT-POS-afb6844f-5
0.570
MIC-UNK-b904ca85-2
0.570
PET-UNK-b1ef24dc-6
0.570
BEN-DND-c852c98b-3
0.568
BEN-DND-c852c98b-5
0.568
MAT-POS-f9802937-7
0.568
ERI-UCB-8d4e5055-4
0.568
ALP-POS-82da25a3-1
0.568
ALF-EVA-5b152d2f-8
0.567
PET-UNK-f4e47ebd-3
0.567
MAT-POS-1f3c8e6f-1
0.567
MAK-UNK-919546f0-1
0.567
MAK-UNK-f481d203-1
0.567
MAK-UNK-f481d203-2
0.567
ADA-UCB-dc2b944c-8
0.564
PET-UNK-6314f867-1
0.562
BEN-DND-a7517465-11
0.562
RUB-POS-1325a9ea-10
0.562
ERI-UCB-8d4e5055-3
0.562
MAT-POS-7ddaf7de-2
0.562
RAL-THA-b9d6aec1-1
0.561
MAT-POS-14f31916-1
0.558
WIL-UCB-7ba4ac3a-1
0.558
MAT-POS-d8472c4f-6
0.558
MAK-UNK-8be7dca9-7
0.558
MIC-UNK-b904ca85-3
0.557
MAK-UNK-8be7dca9-6
0.557
NAU-LAT-b7d8c353-8
0.557
JAG-UCB-571deb56-5
0.556
ALP-POS-b3e0acc5-2
0.554
ALP-POS-82da25a3-2
0.552
MAT-POS-8293a91a-3
0.552
MAK-UNK-8be7dca9-2
0.551
PET-UNK-f4e47ebd-4
0.551
PET-UNK-b38839dc-5
0.551
MAT-POS-ee5e8e94-1
0.551
TET-ENA-382364b7-1
0.551
JAG-UCB-571deb56-2
0.550
LON-WEI-0a73fcb8-7
0.549
EDJ-MED-e9694d2b-1
0.549
ERI-UCB-9c7ec71b-2
0.549
EDJ-MED-51d3200d-3
0.548
PET-UNK-b1ef24dc-7
0.548
PET-UNK-b1ef24dc-8
0.548
MAT-POS-a2421bb6-1
0.548
JAG-UCB-52b62a6f-13
0.547
EDJ-MED-fb4b7746-1
0.546
BEN-DND-c852c98b-1
0.546
BEN-DND-c852c98b-7
0.546
MIC-UNK-b904ca85-4
0.546
EDJ-MED-d1555997-2
0.546
MAT-POS-2bb0cf2b-2
0.546
PET-UNK-b38839dc-4
0.545
RAL-THA-b9d6aec1-2
0.545
PET-UNK-158bee2a-7
0.545
MAT-POS-419aafdb-1
0.545