Molecular Properties | |
SMILES: | Cn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 291.08 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 56.15 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
RAL-THA-3d7a794f-2
0.701
RAL-THA-3d7a794f-3
0.701
PET-UNK-3e029fdc-1
0.697
RAL-THA-3d7a794f-1
0.697
RAL-THA-b74298ba-1
0.636
NAU-LAT-8502cac5-10
0.615
JAG-UCB-c61058a9-22
0.613
ERI-UCB-9c7ec71b-2
0.605
EDJ-MED-e9694d2b-1
0.605
BRU-CON-c4e3408a-1
0.600
JAN-GHE-f4ca5a00-13
0.600
DAR-DIA-6a508060-6
0.600
MAT-POS-b3e365b9-3
0.600
MAT-POS-b3e365b9-4
0.600
MAT-POS-2bb0cf2b-2
0.598
EDJ-MED-fb4b7746-1
0.598
MAK-UNK-919546f0-1
0.585
MAK-UNK-f481d203-1
0.585
MAK-UNK-f481d203-2
0.585
EDG-MED-fe7487f8-9
0.580
NAU-LAT-b7d8c353-7
0.580
RAL-THA-b74298ba-3
0.580
NAU-LAT-8502cac5-14
0.570
JAG-UCB-c61058a9-6
0.568
LON-WEI-0a73fcb8-7
0.566
JAG-UCB-c61058a9-32
0.563
NAU-LAT-8502cac5-15
0.561
NAU-LAT-8502cac5-16
0.561
JAG-UCB-c61058a9-21
0.561
JAG-UCB-119787ef-1
0.561
MAT-POS-968e8d9c-1
0.561
JAG-UCB-c61058a9-41
0.561
JAG-UCB-a3ef7265-20
0.561
JOH-UNI-1b27fa5e-6
0.560
RAL-THA-b74298ba-2
0.560
JAG-UCB-c61058a9-2
0.560
JAG-UCB-c61058a9-7
0.554
JOH-UNI-1b27fa5e-7
0.554
BEN-DND-a7517465-3
0.552
EDJ-MED-fb4b7746-4
0.549
NAU-LAT-b7d8c353-6
0.549
EDG-MED-0e5afe9d-1
0.549
JOH-UNI-16fcdf60-1
0.549
EDG-MED-fe7487f8-8
0.548
JAG-UCB-c61058a9-44
0.548
ERI-UCB-9c7ec71b-4
0.548
JOH-UNI-d0d90dc1-3
0.548
VLA-UCB-53bdeed6-3
0.548
JAN-GHE-f4ca5a00-21
0.548
NAU-LAT-b7d8c353-1
0.548
LON-WEI-0a73fcb8-6
0.548
RAL-THA-b74298ba-4
0.547
MAT-POS-b3e365b9-1
0.547
MAT-POS-b3e365b9-2
0.547
BEN-DND-4f474d93-3
0.547
VLA-UCB-1dbca3b4-15
0.547
ALP-POS-ce760d3f-2
0.547
MAT-POS-f7918075-1
0.547
BEN-DND-4f474d93-1
0.547
ALF-EVA-5b152d2f-2
0.545
BEN-DND-c852c98b-9
0.543
BEN-DND-a7517465-9
0.543
NAU-LAT-8502cac5-11
0.542
JAG-UCB-c61058a9-11
0.541
ALP-POS-ce760d3f-7
0.540
JOH-SUS-a69c159d-1
0.540
ALP-POS-ce760d3f-3
0.540
EDG-MED-5d232de5-2
0.540
BEN-DND-a7517465-10
0.540
BEN-DND-c852c98b-4
0.540
ALP-POS-696356e4-1
0.540
EDG-MED-5d232de5-1
0.540
ADA-UCB-dc2b944c-12
0.540
JOH-UNI-1b27fa5e-5
0.540
BEN-DND-4f474d93-2
0.540
BEN-DND-c852c98b-8
0.540
MAK-UNK-8be7dca9-7
0.539
BEN-DND-a7517465-1
0.539
BEN-DND-a7517465-6
0.538
JAG-UCB-c61058a9-9
0.536
BEN-DND-a7517465-2
0.534
BEN-DND-a7517465-5
0.534
BEN-DND-c852c98b-5
0.533
MAT-POS-f9802937-7
0.533
BEN-DND-c852c98b-3
0.533
NAU-LAT-b7d8c353-5
0.533
ERI-UCB-a38d41be-1
0.529
EDJ-MED-fb4b7746-2
0.528
MAK-UNK-8be7dca9-9
0.528
EDG-MED-0e5afe9d-2
0.528
ADA-UCB-dc2b944c-8
0.528
EDJ-MED-fb4b7746-3
0.528
BEN-DND-a7517465-11
0.527
ALF-EVA-ced740bd-1
0.527
JAG-UCB-52b62a6f-14
0.527
BEN-DND-c852c98b-2
0.527
VLA-UCB-53bdeed6-2
0.524
ROB-UNI-569bc02e-3
0.523
NAU-LAT-8502cac5-13
0.523
MIC-UNK-deda7a44-7
0.523