Molecular Properties | |
SMILES: | O=C(Nc1cncc2c1CCNC2)C1CCOc2ccc(Cl)cc21 |
MW: | 343.11 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 63.25 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
BEN-DND-c852c98b-10
0.733
BEN-DND-a7517465-8
0.733
BEN-DND-a7517465-10
0.678
BEN-DND-c852c98b-8
0.678
ALP-POS-b3e0acc5-2
0.636
MAT-POS-a2421bb6-1
0.629
BEN-DND-a7517465-9
0.621
BEN-DND-c852c98b-9
0.621
MAT-POS-a2421bb6-2
0.602
MIC-UNK-b904ca85-2
0.598
EDJ-MED-fb4b7746-3
0.591
EDG-MED-0e5afe9d-2
0.591
MIC-UNK-b904ca85-4
0.589
MIC-UNK-b904ca85-3
0.583
PET-UNK-b1ef24dc-8
0.576
MAT-POS-afb6844f-2
0.571
MIC-UNK-b904ca85-1
0.567
MAT-POS-afb6844f-1
0.567
MAT-POS-7ddaf7de-4
0.567
ERI-UCB-9c7ec71b-2
0.560
EDJ-MED-e9694d2b-1
0.560
LON-WEI-0a73fcb8-7
0.560
BEN-DND-4f474d93-1
0.559
BEN-DND-4f474d93-3
0.559
ALP-POS-ce760d3f-2
0.559
MAT-POS-afb6844f-3
0.559
MAT-POS-afb6844f-4
0.559
EDJ-MED-fb4b7746-2
0.558
MAT-POS-b3e365b9-4
0.556
MAT-POS-b3e365b9-3
0.556
JAN-GHE-f4ca5a00-13
0.556
DAR-DIA-6a508060-6
0.556
BRU-CON-c4e3408a-1
0.556
PET-UNK-b38839dc-3
0.553
JAG-UCB-c61058a9-7
0.549
MAT-POS-14f31916-5
0.547
PET-UNK-7f7e354d-1
0.547
EDG-MED-0e5afe9d-1
0.545
EDJ-MED-fb4b7746-4
0.545
MAK-UNK-919546f0-1
0.543
MAK-UNK-f481d203-1
0.543
MAK-UNK-f481d203-2
0.543
VLA-UCB-53bdeed6-3
0.543
PET-UNK-b1ef24dc-5
0.543
MAT-POS-b3e365b9-1
0.543
VLA-UCB-1dbca3b4-15
0.543
MAT-POS-b3e365b9-2
0.543
MAT-POS-f7918075-1
0.543
PET-UNK-b1ef24dc-7
0.543
MIC-UNK-7574fcc6-2
0.543
ADA-UCB-dc2b944c-8
0.542
ALF-EVA-5b152d2f-2
0.542
MAK-UNK-8be7dca9-9
0.542
BEN-DND-a7517465-11
0.541
EDJ-MED-51d3200d-4
0.538
BEN-DND-4f474d93-2
0.537
ALP-POS-ce760d3f-7
0.537
EDG-MED-5d232de5-1
0.537
ALP-POS-ce760d3f-3
0.537
BEN-DND-c852c98b-4
0.537
ALP-POS-696356e4-1
0.537
EDG-MED-5d232de5-2
0.537
EDJ-MED-ba7e64f2-1
0.537
MAK-UNK-8be7dca9-7
0.536
JOH-UNI-1b27fa5e-7
0.533
BEN-DND-a7517465-5
0.531
BEN-DND-a7517465-2
0.531
BEN-DND-a7517465-3
0.531
MAT-POS-afb6844f-5
0.531
PET-UNK-e274cad4-7
0.531
PET-UNK-b1ef24dc-6
0.531
MAT-POS-14f31916-2
0.531
MAT-POS-8040981b-1
0.531
MAT-POS-acfe5bae-5
0.531
EDJ-MED-51d3200d-3
0.526
PET-UNK-03fd2068-1
0.526
BEN-DND-c852c98b-1
0.525
PET-UNK-6314f867-1
0.525
MAT-POS-a2421bb6-3
0.525
ERI-UCB-8d4e5055-2
0.523
MAT-POS-8695a11f-2
0.523
JOH-UNI-1b27fa5e-6
0.521
JAG-UCB-c61058a9-11
0.521
JOH-UNI-1b27fa5e-5
0.521
BEN-DND-a7517465-1
0.520
MAT-POS-d8472c4f-6
0.520
PET-UNK-e274cad4-2
0.520
MAT-POS-14f31916-1
0.520
WIL-UCB-7ba4ac3a-1
0.520
MAT-POS-ee5e8e94-2
0.520
PET-UNK-ee8352fa-5
0.520
MAT-POS-acfe5bae-1
0.520
RAL-THA-3d7a794f-4
0.516
MAT-POS-8293a91a-1
0.516
MAT-POS-8293a91a-3
0.515
NAU-LAT-b7d8c353-5
0.515
BEN-DND-c852c98b-3
0.515
BEN-DND-c852c98b-5
0.515
MAT-POS-f9802937-7
0.515
MAT-POS-14f31916-4
0.515