Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CCOc4ccc(Cl)cc43)cncc2cn1 |
MW: | 369.09 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.34 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-4
0.733
PET-UNK-f4e47ebd-7
0.728
PET-UNK-ee8352fa-6
0.722
MAT-POS-f9802937-7
0.700
RUB-POS-1325a9ea-10
0.692
ALF-EVA-5b152d2f-2
0.678
PET-UNK-b38839dc-5
0.677
PET-UNK-b38839dc-4
0.670
ALP-POS-ce760d3f-2
0.663
BEN-DND-4f474d93-3
0.663
BEN-DND-4f474d93-1
0.663
EDG-MED-5d232de5-1
0.656
BEN-DND-c852c98b-4
0.656
EDG-MED-5d232de5-2
0.656
EDJ-MED-ba7e64f2-1
0.656
ALP-POS-696356e4-1
0.656
ALP-POS-ce760d3f-7
0.656
WIL-UCB-7ba4ac3a-1
0.652
BEN-DND-c852c98b-5
0.645
PET-UNK-ee8352fa-4
0.645
BEN-DND-c852c98b-3
0.645
ERI-UCB-8d4e5055-4
0.645
PET-UNK-2c6614b6-2
0.635
MAK-UNK-8be7dca9-7
0.634
PET-UNK-ee8352fa-5
0.632
ALP-POS-82da25a3-2
0.628
MAT-POS-8293a91a-3
0.628
VLA-UCB-1dbca3b4-15
0.626
MAT-POS-f7918075-1
0.626
MAT-POS-b3e365b9-2
0.626
MAT-POS-b3e365b9-1
0.626
BEN-DND-c852c98b-6
0.625
TET-ENA-1a76f195-1
0.625
ALF-EVA-ced740bd-1
0.621
BEN-DND-c852c98b-1
0.621
BEN-DND-c852c98b-7
0.621
BEN-DND-4f474d93-2
0.620
ALP-POS-ce760d3f-3
0.620
BEN-DND-c852c98b-2
0.619
RAL-THA-b9d6aec1-1
0.619
RAL-THA-b9d6aec1-2
0.619
ALF-EVA-5b152d2f-7
0.615
MAK-UNK-8be7dca9-8
0.615
RAL-THA-b9d6aec1-3
0.615
ALP-POS-82da25a3-1
0.611
MAK-UNK-8be7dca9-9
0.606
PET-UNK-03fd2068-1
0.606
MAT-POS-7ddaf7de-2
0.604
ERI-UCB-8d4e5055-3
0.604
MAT-POS-419aafdb-1
0.600
MAT-POS-d8472c4f-6
0.600
MAT-POS-14f31916-1
0.600
ALF-EVA-ced740bd-2
0.598
MAT-POS-ee5e8e94-2
0.598
MAT-POS-acfe5bae-1
0.598
PET-UNK-7f7e354d-1
0.596
JOH-UNI-f51e3bbc-2
0.594
TET-ENA-382364b7-1
0.592
PET-UNK-b1ef24dc-7
0.591
MIC-UNK-7574fcc6-2
0.591
PET-UNK-b1ef24dc-8
0.591
MAT-POS-419aafdb-2
0.590
MAK-UNK-8be7dca9-5
0.588
PET-UNK-6314f867-1
0.588
PET-UNK-b38839dc-3
0.585
BEN-DND-a7517465-6
0.582
ALF-EVA-5b152d2f-5
0.582
PET-UNK-b78139fa-2
0.582
MAT-POS-1ecf5680-1
0.580
JAG-UCB-571deb56-5
0.580
MAT-POS-14f31916-5
0.579
MAT-POS-14f31916-2
0.577
MAT-POS-acfe5bae-5
0.577
MAK-UNK-8be7dca9-2
0.576
ALF-EVA-5b152d2f-8
0.576
PET-UNK-7279c968-6
0.576
MAT-POS-14f31916-3
0.576
ALF-EVA-5b152d2f-3
0.574
JAG-UCB-571deb56-2
0.574
ADA-UCB-dc2b944c-8
0.573
MAK-UNK-8be7dca9-4
0.573
JOH-SUS-a69c159d-1
0.568
ADA-UCB-dc2b944c-12
0.568
BEN-DND-a7517465-1
0.567
PET-UNK-e274cad4-2
0.567
MAT-POS-7ddaf7de-4
0.565
MAT-POS-afb6844f-1
0.565
PET-UNK-1e13ef09-3
0.564
MAT-POS-1ecf5680-2
0.564
JAG-UCB-571deb56-4
0.563
BEN-DND-a7517465-2
0.562
PET-UNK-e274cad4-7
0.562
MAT-POS-8040981b-1
0.561
MAT-POS-ee5e8e94-1
0.560
PET-UNK-b1ef24dc-5
0.558
MAT-POS-a2421bb6-1
0.558
JOH-SUS-a69c159d-3
0.557
MAT-POS-a2421bb6-3
0.556
DAR-DIA-6a508060-6
0.554
MAT-POS-b3e365b9-4
0.554