Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)c1ccc2cncc(NC(=O)C3CCOc4ccc(Cl)cc43)c2c1 |
MW: | 445.09 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 88.6 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-dd3ad2b5-4
ERI-UCB-8d4e5055-4
0.833
BEN-DND-c852c98b-5
0.833
RAL-THA-b9d6aec1-2
0.795
RAL-THA-b9d6aec1-3
0.793
PET-UNK-ee8352fa-4
0.711
BEN-DND-c852c98b-3
0.711
ALF-EVA-5b152d2f-2
0.708
BEN-DND-c852c98b-4
0.705
ALP-POS-696356e4-1
0.705
EDG-MED-5d232de5-1
0.705
ALP-POS-ce760d3f-7
0.705
EDG-MED-5d232de5-2
0.705
EDJ-MED-ba7e64f2-1
0.705
MAT-POS-f9802937-7
0.692
BEN-DND-c852c98b-1
0.685
MAK-UNK-8be7dca9-7
0.681
MAT-POS-419aafdb-1
0.677
MAT-POS-8293a91a-3
0.674
ALP-POS-82da25a3-2
0.674
BEN-DND-c852c98b-7
0.667
MAT-POS-7ddaf7de-2
0.667
ERI-UCB-8d4e5055-3
0.667
MAT-POS-419aafdb-2
0.667
ALF-EVA-5b152d2f-7
0.660
MAK-UNK-8be7dca9-8
0.660
MAT-POS-b3e365b9-1
0.656
MAT-POS-f7918075-1
0.656
MAT-POS-b3e365b9-2
0.656
VLA-UCB-1dbca3b4-15
0.656
BEN-DND-c852c98b-6
0.653
BEN-DND-4f474d93-2
0.648
ALP-POS-ce760d3f-3
0.648
BEN-DND-c852c98b-2
0.646
PET-UNK-ee8352fa-6
0.642
PET-UNK-ee8352fa-5
0.642
BEN-DND-4f474d93-1
0.637
BEN-DND-4f474d93-3
0.637
ALP-POS-ce760d3f-2
0.637
PET-UNK-b38839dc-5
0.635
RUB-POS-1325a9ea-10
0.632
WIL-UCB-7ba4ac3a-1
0.628
ALF-EVA-5b152d2f-3
0.620
PET-UNK-f4e47ebd-3
0.619
TET-ENA-382364b7-1
0.619
MAK-UNK-8be7dca9-4
0.614
PET-UNK-b38839dc-4
0.612
MAT-POS-1ecf5680-1
0.606
MAT-POS-1ecf5680-2
0.606
MIC-UNK-7574fcc6-2
0.602
MAT-POS-96f51285-4
0.602
EDJ-MED-611d11e7-3
0.602
JAG-UCB-571deb56-2
0.600
PET-UNK-03fd2068-1
0.600
MAK-UNK-8be7dca9-9
0.600
PET-UNK-6314f867-1
0.598
JAG-UCB-571deb56-1
0.592
MAT-POS-8695a11f-2
0.590
ERI-UCB-8d4e5055-2
0.590
JAG-UCB-571deb56-5
0.590
JAG-UCB-571deb56-4
0.588
ALP-POS-82da25a3-1
0.588
ALF-EVA-5b152d2f-8
0.586
PET-UNK-f4e47ebd-4
0.586
PET-UNK-b1ef24dc-8
0.585
PET-UNK-b1ef24dc-7
0.585
MAK-UNK-8be7dca9-5
0.582
PET-UNK-b38839dc-3
0.579
MAT-POS-d8472c4f-6
0.577
MAT-POS-14f31916-1
0.577
MAT-POS-ee5e8e94-2
0.576
MAT-POS-acfe5bae-1
0.576
ALF-EVA-5b152d2f-5
0.576
MAT-POS-86c60949-3
0.574
ERI-UCB-8d4e5055-5
0.574
MAT-POS-14f31916-5
0.573
PET-UNK-7f7e354d-1
0.573
PET-UNK-e274cad4-7
0.573
JAG-UCB-571deb56-6
0.571
MAK-UNK-8be7dca9-2
0.570
MAT-POS-ee5e8e94-1
0.570
MAK-UNK-919546f0-1
0.570
MAK-UNK-f481d203-1
0.570
MAK-UNK-f481d203-2
0.570
ADA-UCB-dc2b944c-8
0.567
ALF-EVA-ced740bd-1
0.566
MAT-POS-afb6844f-2
0.564
BEN-DND-a7517465-1
0.561
PET-UNK-e274cad4-2
0.561
MAT-POS-7ddaf7de-4
0.559
MAT-POS-afb6844f-1
0.559
BEN-DND-a7517465-2
0.557
MAT-POS-acfe5bae-5
0.556
MAT-POS-14f31916-2
0.556
MAT-POS-8040981b-1
0.556
MAT-POS-14f31916-3
0.554
TET-ENA-1a76f195-1
0.554
PET-UNK-b1ef24dc-5
0.552
ROB-UNI-6ee2df8c-1
0.552
ALF-EVA-5b152d2f-1
0.551
MAT-POS-a2421bb6-3
0.550