Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(NS(=O)(=O)C3CC3)ccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 457.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 97.39 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
TET-ENA-382364b7-1
0.816
MAT-POS-1ecf5680-1
0.798
MAT-POS-419aafdb-2
0.769
ERI-UCB-8d4e5055-3
0.714
MAT-POS-7ddaf7de-2
0.714
PET-UNK-03fd2068-1
0.700
MAK-UNK-8be7dca9-9
0.681
JAG-UCB-571deb56-2
0.677
ALF-EVA-5b152d2f-5
0.670
MAT-POS-b3e365b9-1
0.667
ALP-POS-82da25a3-1
0.667
MAT-POS-b3e365b9-2
0.667
VLA-UCB-1dbca3b4-15
0.667
MAT-POS-f7918075-1
0.667
PET-UNK-6314f867-1
0.660
MAK-UNK-8be7dca9-5
0.660
BEN-DND-4f474d93-1
0.648
BEN-DND-4f474d93-3
0.648
ALP-POS-ce760d3f-2
0.648
JAG-UCB-571deb56-4
0.646
ALF-EVA-5b152d2f-8
0.646
MAK-UNK-8be7dca9-2
0.646
WIL-UCB-7ba4ac3a-1
0.638
JAG-UCB-571deb56-1
0.634
JAG-UCB-571deb56-5
0.633
BEN-DND-c852c98b-5
0.632
ERI-UCB-8d4e5055-4
0.632
JAG-UCB-571deb56-6
0.627
BEN-DND-4f474d93-2
0.624
EDJ-MED-ba7e64f2-1
0.624
ALP-POS-ce760d3f-3
0.624
BEN-DND-c852c98b-4
0.624
MAT-POS-419aafdb-1
0.620
RAL-THA-b9d6aec1-3
0.619
PET-UNK-f4e47ebd-4
0.612
RUB-POS-1325a9ea-10
0.608
ALP-POS-ce760d3f-7
0.606
EDG-MED-5d232de5-1
0.606
EDG-MED-5d232de5-2
0.606
ALP-POS-696356e4-1
0.606
RAL-THA-b9d6aec1-1
0.606
PET-UNK-b38839dc-4
0.606
RAL-THA-b9d6aec1-2
0.606
PET-UNK-ee8352fa-5
0.602
ERI-UCB-8d4e5055-1
0.600
MAK-UNK-8be7dca9-1
0.600
PET-UNK-b38839dc-5
0.596
ALF-EVA-5b152d2f-2
0.594
BEN-DND-c852c98b-7
0.592
MAT-POS-7ddaf7de-1
0.589
JAG-UCB-571deb56-3
0.589
MAK-UNK-8be7dca9-7
0.588
ALF-EVA-5b152d2f-7
0.586
PET-UNK-ee8352fa-6
0.586
ERI-UCB-8d4e5055-6
0.583
MAT-POS-7ddaf7de-3
0.583
BEN-DND-c852c98b-3
0.582
ALP-POS-82da25a3-2
0.582
MAT-POS-f9802937-7
0.582
PET-UNK-ee8352fa-4
0.582
MAT-POS-8293a91a-3
0.582
PET-UNK-b1ef24dc-8
0.579
PET-UNK-b1ef24dc-7
0.579
BEN-DND-c852c98b-1
0.576
JAG-UCB-571deb56-7
0.574
PET-UNK-b38839dc-3
0.573
MAK-UNK-8be7dca9-8
0.570
MAT-POS-14f31916-5
0.567
PET-UNK-7f7e354d-1
0.567
BEN-DND-c852c98b-6
0.564
PET-UNK-f4e47ebd-3
0.564
MIC-UNK-7574fcc6-2
0.562
ADA-UCB-dc2b944c-8
0.561
ALF-EVA-ced740bd-1
0.560
BEN-DND-c852c98b-2
0.559
MAT-POS-d8472c4f-6
0.556
MAT-POS-14f31916-1
0.556
MIC-UNK-b904ca85-2
0.551
MAT-POS-acfe5bae-5
0.550
MAT-POS-14f31916-2
0.550
MAT-POS-8040981b-1
0.550
EDG-MED-f9979214-1
0.548
MAT-POS-22373164-4
0.548
MAK-UNK-919546f0-1
0.547
MAK-UNK-f481d203-1
0.547
MAK-UNK-f481d203-2
0.547
PET-UNK-b1ef24dc-5
0.546
ALF-EVA-5b152d2f-1
0.545
MAT-POS-a2421bb6-3
0.545
MAT-POS-b3e365b9-4
0.543
BRU-CON-c4e3408a-1
0.543
DAR-DIA-6a508060-6
0.543
JAN-GHE-f4ca5a00-13
0.543
MAT-POS-b3e365b9-3
0.543
MAT-POS-acfe5bae-1
0.539
MAT-POS-ee5e8e94-2
0.539
MAK-UNK-8be7dca9-6
0.539
NAU-LAT-b7d8c353-8
0.539
MAT-POS-7ddaf7de-4
0.537
MAT-POS-afb6844f-1
0.537