Molecular Properties | |
SMILES: | CCn1cncc1NC(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 305.09 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
RAL-THA-3d7a794f-4
0.701
RAL-THA-3d7a794f-2
0.659
RAL-THA-3d7a794f-1
0.654
PET-UNK-3e029fdc-1
0.654
RAL-THA-b74298ba-2
0.619
JAG-UCB-c61058a9-22
0.576
NAU-LAT-8502cac5-10
0.560
RAL-THA-b74298ba-1
0.560
LON-WEI-0a73fcb8-7
0.552
BRU-CON-c4e3408a-1
0.547
DAR-DIA-6a508060-6
0.547
RAL-THA-b74298ba-3
0.547
JAG-UCB-c61058a9-41
0.547
MAT-POS-b3e365b9-4
0.547
MAT-POS-b3e365b9-3
0.547
JAN-GHE-f4ca5a00-13
0.547
EDG-MED-fe7487f8-9
0.547
BEN-DND-a7517465-6
0.543
NAU-LAT-8502cac5-14
0.538
NAU-LAT-b7d8c353-1
0.534
MAK-UNK-f481d203-2
0.534
ERI-UCB-9c7ec71b-2
0.534
MAK-UNK-919546f0-1
0.534
JAN-GHE-f4ca5a00-21
0.534
MAK-UNK-f481d203-1
0.534
EDJ-MED-e9694d2b-1
0.534
RAL-THA-b74298ba-4
0.533
EDJ-MED-fb4b7746-1
0.532
MAT-POS-2bb0cf2b-2
0.532
JAG-UCB-a3ef7265-20
0.529
JAG-UCB-119787ef-1
0.529
NAU-LAT-8502cac5-15
0.529
NAU-LAT-8502cac5-16
0.529
JAG-UCB-c61058a9-21
0.529
MAT-POS-968e8d9c-1
0.529
NAU-LAT-b7d8c353-6
0.521
JAG-UCB-c61058a9-6
0.517
EDG-MED-fe7487f8-8
0.517
ERI-UCB-9c7ec71b-4
0.517
JOH-UNI-d0d90dc1-3
0.517
JAG-UCB-c61058a9-44
0.517
ALP-POS-ce760d3f-2
0.516
ERI-UCB-a38d41be-1
0.516
BEN-DND-4f474d93-1
0.516
BEN-DND-4f474d93-3
0.516
JAG-UCB-c61058a9-32
0.516
ALF-EVA-5b152d2f-2
0.516
NAU-LAT-8502cac5-11
0.511
NAU-LAT-b7d8c353-7
0.511
JOH-UNI-1b27fa5e-6
0.511
JAG-UCB-c61058a9-2
0.511
BEN-DND-a7517465-1
0.511
JAG-UCB-c61058a9-9
0.506
JOH-UNI-1b27fa5e-7
0.506
JAG-UCB-c61058a9-7
0.506
BEN-DND-a7517465-5
0.505
BEN-DND-a7517465-2
0.505
BEN-DND-a7517465-3
0.505
BEN-DND-c852c98b-3
0.505
NAU-LAT-b7d8c353-5
0.505
EDG-MED-0e5afe9d-1
0.505
EDJ-MED-fb4b7746-4
0.505
JAG-UCB-52b62a6f-2
0.500
ALP-POS-8b8a49e1-3
0.500
JOH-UNI-16fcdf60-1
0.500
MAT-POS-f7918075-1
0.500
MAT-POS-b3e365b9-1
0.500
VLA-UCB-1dbca3b4-15
0.500
ROB-UNI-569bc02e-7
0.500
LON-WEI-0a73fcb8-6
0.500
VLA-UCB-53bdeed6-3
0.500
MAT-POS-b3e365b9-2
0.500
MIC-UNK-deda7a44-7
0.495
BEN-DND-c852c98b-8
0.495
ALP-POS-696356e4-1
0.495
EDG-MED-5d232de5-1
0.495
EDG-MED-5d232de5-2
0.495
ADA-UCB-dc2b944c-12
0.495
JOH-SUS-a69c159d-1
0.495
ALP-POS-ce760d3f-3
0.495
NAU-LAT-8502cac5-13
0.495
JOH-UNI-1b27fa5e-5
0.495
BEN-DND-4f474d93-2
0.495
BEN-DND-c852c98b-4
0.495
ALP-POS-ce760d3f-7
0.495
BEN-DND-a7517465-10
0.495
JAG-UCB-c61058a9-11
0.495
ROB-UNI-569bc02e-3
0.495
VLA-UCB-53bdeed6-2
0.494
MAK-UNK-f481d203-6
0.490
BEN-DND-c852c98b-5
0.490
JAG-UCB-52b62a6f-11
0.490
MAK-UNK-919546f0-3
0.490
MAK-UNK-f481d203-5
0.490
MAT-POS-f9802937-7
0.490
JOH-UNI-f51e3bbc-2
0.490
MAT-UCB-70f7c0f7-6
0.489
MIC-UNK-deda7a44-6
0.489
BEN-DND-b89db3f2-2
0.489
NAU-LAT-b7d8c353-4
0.489