Molecular Properties | |
SMILES: | CC1(C)CCCc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c21 |
MW: | 370.14 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-5fe48310-1
MIC-UNK-b904ca85-2
0.840
MIC-UNK-b904ca85-3
0.692
MIC-UNK-b904ca85-4
0.681
BEN-DND-c852c98b-8
0.626
BEN-DND-a7517465-10
0.626
BEN-DND-a7517465-8
0.589
BEN-DND-c852c98b-10
0.589
MAT-POS-b3e365b9-4
0.578
BRU-CON-c4e3408a-1
0.578
DAR-DIA-6a508060-6
0.578
MAT-POS-b3e365b9-3
0.578
JAN-GHE-f4ca5a00-13
0.578
BEN-DND-a7517465-9
0.576
BEN-DND-c852c98b-9
0.576
MAT-POS-7ddaf7de-4
0.571
MAT-POS-afb6844f-1
0.571
NAU-LAT-b7d8c353-2
0.567
ERI-UCB-9c7ec71b-2
0.565
EDJ-MED-e9694d2b-1
0.565
MAK-UNK-919546f0-1
0.565
MAK-UNK-f481d203-1
0.565
MAK-UNK-f481d203-2
0.565
PET-UNK-b1ef24dc-8
0.564
ADA-UCB-dc2b944c-8
0.562
MAT-POS-afb6844f-2
0.559
PET-UNK-b38839dc-3
0.558
ALP-POS-b3e0acc5-2
0.553
PET-UNK-b1ef24dc-6
0.552
MAT-POS-14f31916-5
0.552
PET-UNK-7f7e354d-1
0.552
MAT-POS-14f31916-2
0.551
MAT-POS-acfe5bae-5
0.551
TET-ENA-382364b7-1
0.550
LON-WEI-0a73fcb8-7
0.548
BEN-DND-4f474d93-3
0.547
MAT-POS-a2421bb6-1
0.547
PET-UNK-b1ef24dc-7
0.547
VLA-UCB-1dbca3b4-15
0.547
MAT-POS-b3e365b9-1
0.547
ALP-POS-ce760d3f-2
0.547
MAT-POS-f7918075-1
0.547
BEN-DND-4f474d93-1
0.547
MAT-POS-afb6844f-3
0.547
MIC-UNK-7574fcc6-2
0.547
MAT-POS-b3e365b9-2
0.547
ALF-EVA-5b152d2f-2
0.546
PET-UNK-03fd2068-1
0.546
MAK-UNK-8be7dca9-9
0.546
BEN-DND-4f474d93-2
0.542
BEN-DND-c852c98b-4
0.542
EDG-MED-5d232de5-1
0.542
ALP-POS-ce760d3f-3
0.542
EDJ-MED-ba7e64f2-1
0.542
ALP-POS-ce760d3f-7
0.542
EDG-MED-5d232de5-2
0.542
ALP-POS-696356e4-1
0.542
MAT-POS-d8472c4f-6
0.541
BEN-DND-a7517465-1
0.541
MAT-POS-14f31916-1
0.541
MAT-POS-a2421bb6-2
0.541
WIL-UCB-7ba4ac3a-1
0.541
ALF-EVA-5b152d2f-5
0.540
PET-UNK-ee8352fa-5
0.540
MAT-POS-ee5e8e94-2
0.540
MAT-POS-acfe5bae-1
0.540
NAU-LAT-b7d8c353-8
0.540
MAK-UNK-8be7dca9-6
0.540
MAT-POS-1ecf5680-1
0.539
RAL-THA-3d7a794f-4
0.538
MAT-POS-8293a91a-1
0.538
BEN-DND-a7517465-2
0.536
BEN-DND-a7517465-3
0.536
MAT-POS-afb6844f-5
0.536
PET-UNK-e274cad4-7
0.536
BEN-DND-a7517465-5
0.536
BEN-DND-c852c98b-5
0.535
BEN-DND-c852c98b-3
0.535
ERI-UCB-8d4e5055-4
0.535
PET-UNK-ee8352fa-4
0.535
MAT-POS-f9802937-7
0.535
TET-ENA-1a76f195-1
0.535
MAT-POS-14f31916-3
0.535
PET-UNK-b38839dc-5
0.535
MAT-POS-1f3c8e6f-1
0.532
EDJ-MED-51d3200d-3
0.531
MAT-POS-afb6844f-4
0.531
PET-UNK-b1ef24dc-5
0.531
ALF-EVA-ced740bd-1
0.530
RUB-POS-1325a9ea-10
0.530
PET-UNK-6314f867-1
0.530
BEN-DND-a7517465-11
0.530
MAT-POS-7ddaf7de-2
0.530
BEN-DND-c852c98b-7
0.530
ERI-UCB-8d4e5055-3
0.530
PET-UNK-b38839dc-4
0.529
MAT-POS-419aafdb-1
0.529
JAG-UCB-571deb56-1
0.528
JAG-UCB-c61058a9-11
0.526
EDJ-MED-51d3200d-4
0.526
ADA-UCB-dc2b944c-12
0.526