Molecular Properties | |
SMILES: | CN1CCN(c2ccncc2NC(=O)C2CCOc3ccc(Cl)cc32)CC1 |
MW: | 386.15 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 57.7 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
NAU-LAT-b7d8c353-5
0.663
MAT-POS-b3e365b9-4
0.644
DAR-DIA-6a508060-6
0.644
BRU-CON-c4e3408a-1
0.644
MAT-POS-b3e365b9-3
0.644
JAN-GHE-f4ca5a00-13
0.644
BEN-DND-4f474d93-3
0.626
ALP-POS-ce760d3f-2
0.626
BEN-DND-4f474d93-1
0.626
MAK-UNK-f481d203-2
0.611
MAK-UNK-919546f0-1
0.611
MAK-UNK-f481d203-1
0.611
LON-WEI-0a73fcb8-7
0.593
ERI-UCB-9c7ec71b-2
0.593
EDJ-MED-e9694d2b-1
0.593
BEN-DND-4f474d93-2
0.568
ALP-POS-ce760d3f-3
0.568
BEN-DND-c852c98b-9
0.554
BEN-DND-a7517465-9
0.554
BEN-DND-a7517465-7
0.551
RAL-THA-3d7a794f-4
0.549
ALF-EVA-5b152d2f-2
0.541
BEN-DND-c852c98b-4
0.536
BEN-DND-a7517465-3
0.531
MAT-POS-f9802937-7
0.530
EDG-MED-0e5afe9d-1
0.529
EDJ-MED-fb4b7746-4
0.529
MAT-POS-f7918075-1
0.526
MAT-POS-b3e365b9-1
0.526
VLA-UCB-1dbca3b4-15
0.526
MAT-POS-b3e365b9-2
0.526
ADA-UCB-dc2b944c-8
0.525
MAK-UNK-8be7dca9-9
0.525
ALF-EVA-ced740bd-1
0.525
EDJ-MED-fb4b7746-1
0.525
MAT-POS-2bb0cf2b-2
0.525
RAL-THA-3d7a794f-3
0.521
ALP-POS-ce760d3f-7
0.520
ALP-POS-696356e4-1
0.520
BEN-DND-c852c98b-8
0.520
BEN-DND-a7517465-10
0.520
EDG-MED-5d232de5-1
0.520
EDG-MED-5d232de5-2
0.520
MAK-UNK-8be7dca9-7
0.520
ALF-EVA-5b152d2f-7
0.520
ALF-EVA-5b152d2f-5
0.520
BEN-DND-c852c98b-3
0.515
BEN-DND-c852c98b-5
0.515
VLA-UCB-53bdeed6-3
0.510
BEN-DND-c852c98b-1
0.510
ADA-UCB-dc2b944c-12
0.505
JOH-SUS-a69c159d-1
0.505
JOH-UNI-1b27fa5e-5
0.505
BEN-DND-a7517465-1
0.505
BEN-DND-a7517465-8
0.505
BEN-DND-c852c98b-10
0.505
NAU-LAT-8502cac5-10
0.500
RAL-THA-3d7a794f-1
0.500
BEN-DND-c852c98b-6
0.500
NAU-LAT-b7d8c353-2
0.500
MAK-UNK-8be7dca9-4
0.500
BEN-DND-a7517465-5
0.500
JOH-UNI-1b27fa5e-7
0.500
JOH-UNI-f51e3bbc-2
0.500
JAG-UCB-c61058a9-7
0.500
RAL-THA-b74298ba-1
0.500
ADA-UCB-dc2b944c-11
0.500
PET-UNK-3e029fdc-1
0.500
BEN-DND-a7517465-2
0.500
BEN-DND-c852c98b-2
0.495
MAK-UNK-8be7dca9-5
0.495
BEN-DND-c852c98b-7
0.495
BEN-DND-a7517465-11
0.495
EDG-MED-0e5afe9d-2
0.495
EDJ-MED-fb4b7746-2
0.495
EDJ-MED-fb4b7746-3
0.495
JOH-UNI-16fcdf60-1
0.495
ALF-EVA-ced740bd-2
0.490
MAK-UNK-8be7dca9-6
0.490
NAU-LAT-b7d8c353-8
0.490
MAK-UNK-8be7dca9-8
0.490
BEN-DND-a7517465-6
0.490
JOH-SUS-a69c159d-2
0.490
JOH-UNI-1b27fa5e-6
0.490
RAL-THA-3d7a794f-2
0.490
JAG-UCB-c61058a9-11
0.490
NAU-LAT-b7d8c353-7
0.490
RAL-THA-b74298ba-3
0.490
NAU-LAT-8502cac5-11
0.490
NAU-LAT-8502cac5-16
0.490
EDG-MED-fe7487f8-9
0.490
MAK-UNK-8be7dca9-2
0.486
ALF-EVA-5b152d2f-8
0.486
JAG-UCB-c61058a9-22
0.485
MAK-UNK-8be7dca9-1
0.482
JAG-UCB-52b62a6f-13
0.480
JAG-UCB-52b62a6f-16
0.480
JOH-SUS-a69c159d-3
0.480
JOH-UNI-1b27fa5e-1
0.480
JOH-SUS-a69c159d-4
0.480