Molecular Properties | |
SMILES: | O=C1CC(NC(=O)C2CCOc3ccc(Cl)cc32)C(=O)N1 |
MW: | 308.06 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 84.5 |
cLogP: | 0.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MIC-UNK-42806bd5-4
0.690
ALP-POS-8b8a49e1-1
0.671
MIC-UNK-42806bd5-3
0.671
MIC-UNK-4c7b8ba7-2
0.645
ALP-POS-8b8a49e1-3
0.630
ALP-POS-8b8a49e1-4
0.623
NAU-LAT-64bf4c5d-1
0.600
ALP-POS-8b8a49e1-2
0.600
MIC-UNK-13557a72-2
0.537
NAU-LAT-b7d8c353-4
0.531
BEN-DND-b89db3f2-2
0.531
DAR-DIA-6a508060-7
0.524
NAU-LAT-8502cac5-10
0.512
JAN-GHE-f4ca5a00-21
0.506
NAU-LAT-b7d8c353-7
0.500
VLA-UCB-53bdeed6-2
0.500
JAG-UCB-52b62a6f-6
0.494
MIC-UNK-b12b7f76-1
0.494
VLA-UCB-53bdeed6-3
0.488
NAU-LAT-8502cac5-12
0.488
LON-WEI-0a73fcb8-6
0.488
VLA-UNK-0ffe3317-2
0.488
JAN-GHE-f4ca5a00-23
0.488
JAG-UCB-c61058a9-6
0.488
JOH-UNI-16fcdf60-1
0.488
JAG-UCB-119787ef-1
0.482
MAT-POS-968e8d9c-1
0.482
NAU-LAT-8502cac5-11
0.482
NAU-LAT-8502cac5-15
0.482
NAU-LAT-8502cac5-16
0.482
JAG-UCB-c61058a9-21
0.482
JAG-UCB-c61058a9-41
0.482
JAG-UCB-a3ef7265-20
0.482
PET-UNK-158bee2a-7
0.482
JAG-UCB-c61058a9-22
0.477
JOH-UNI-1b27fa5e-7
0.477
TAT-ENA-0e28ea53-1
0.477
JAG-UCB-c61058a9-7
0.477
JAG-UCB-c61058a9-9
0.477
RAL-THA-3d7a794f-4
0.476
RAL-THA-b74298ba-1
0.476
ROB-UNI-569bc02e-6
0.472
MAT-POS-afb6844f-4
0.472
ERI-UCB-9c7ec71b-4
0.471
NAU-LAT-b7d8c353-1
0.471
MAK-UNK-919546f0-1
0.471
MAK-UNK-f481d203-1
0.471
LON-WEI-0a73fcb8-7
0.471
EDG-MED-fe7487f8-8
0.471
EDJ-MED-e9694d2b-1
0.471
ERI-UCB-9c7ec71b-2
0.471
JAN-GHE-f4ca5a00-22
0.471
MAK-UNK-f481d203-2
0.471
MAT-POS-a3f7f96a-2
0.471
ADA-UCB-b1b30a00-8
0.467
JAG-UCB-52b62a6f-9
0.467
JOH-UNI-f51e3bbc-1
0.467
ROB-UNI-569bc02e-5
0.467
JOH-UNI-1b27fa5e-5
0.467
EDJ-MED-ba7e64f2-2
0.467
RAL-THA-3d7a794f-2
0.466
RAL-THA-3d7a794f-3
0.466
RAL-THA-b74298ba-2
0.466
JAG-UCB-c61058a9-2
0.466
JAG-UCB-c61058a9-11
0.466
ROB-UNI-569bc02e-3
0.466
DAR-DIA-6a508060-6
0.465
JAN-GHE-f4ca5a00-13
0.465
MAT-POS-b3e365b9-3
0.465
EDG-MED-fe7487f8-9
0.465
MAT-POS-b3e365b9-4
0.465
BRU-CON-c4e3408a-1
0.465
RAL-THA-b74298ba-3
0.465
LON-WEI-0a73fcb8-5
0.463
NAU-LAT-b7d8c353-3
0.462
VLA-UCB-50c39ae8-11
0.462
JAG-UCB-c61058a9-45
0.462
FRA-DIA-e29753f2-1
0.462
VLA-UCB-05e51b3f-18
0.462
JAG-UCB-52b62a6f-7
0.462
BEN-DND-b89db3f2-1
0.462
MAT-POS-14f31916-5
0.462
ADA-UCB-b1b30a00-6
0.462
MAT-POS-afb6844f-5
0.462
MIC-UNK-deda7a44-6
0.461
VLA-UNK-0ffe3317-1
0.461
MAT-POS-a2421bb6-4
0.461
PET-UNK-3e029fdc-1
0.460
MAT-POS-afb6844f-1
0.460
RAL-THA-3d7a794f-1
0.460
MAT-POS-b5c94171-1
0.460
MAT-POS-8293a91a-1
0.460
MAT-POS-7ddaf7de-4
0.460
JAG-UCB-52b62a6f-16
0.457
JAG-UCB-52b62a6f-13
0.457
EDG-MED-0e5afe9d-2
0.457
EDJ-MED-fb4b7746-3
0.457
ADA-UCB-b1b30a00-7
0.457
ROB-UNI-569bc02e-1
0.457
RAL-THA-b74298ba-4
0.456