Molecular Properties | |
SMILES: | Clc1ccc2c(c1)[C@]1(CCO2)CCN(c2cncc3ccccc23)C1 |
MW: | 350.12 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 25.36 |
cLogP: | 4.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-983b399a-2
1.000
EDJ-MED-e78d5f1a-1
0.644
EDJ-MED-a6bab6fb-1
0.630
EDJ-MED-159244ea-3
0.598
MAT-POS-983b399a-3
0.598
EDJ-MED-d7486dd1-1
0.545
EDJ-MED-159244ea-1
0.542
MAT-POS-983b399a-1
0.542
ALP-POS-477dc5b7-4
0.542
MAT-POS-e20a5dfb-2
0.520
ALP-POS-e0fe77e5-7
0.520
ALP-POS-477dc5b7-5
0.520
MAT-POS-e20a5dfb-1
0.520
EDJ-MED-8bb691af-1
0.515
VLA-UCB-50c39ae8-2
0.505
VLA-UCB-05e51b3f-5
0.505
DAR-DIA-0f7b7cd9-8
0.505
BEN-BAS-c2bc0d80-6
0.505
MAT-POS-94643566-1
0.505
VLA-UCB-05e51b3f-6
0.505
VLA-UCB-50c39ae8-3
0.505
BEN-BAS-c2bc0d80-3
0.500
VLA-UCB-29506327-1
0.500
VLA-UNK-cf7facf1-1
0.500
VLA-UCB-34f3ed0c-11
0.500
BRU-THA-73c97d88-1
0.495
DAR-DIA-0f7b7cd9-9
0.495
MAT-POS-90505e2b-1
0.495
MAT-POS-ec6d90b7-1
0.495
MAT-POS-ec6d90b7-2
0.495
VLA-UCB-34f3ed0c-12
0.490
EDJ-MED-8bb691af-7
0.486
BEN-BAS-c2bc0d80-7
0.480
EDJ-MED-8bb691af-2
0.477
VLA-UNK-ba665ac8-1
0.476
JAG-UCB-f37eaa14-3
0.475
VLA-UNK-ba665ac8-2
0.467
VLA-UNK-c65c1026-1
0.461
VLA-UNK-83c3754c-1
0.450
VLA-UNK-70dd90ef-4
0.450
VLA-UNK-c65c1026-6
0.447
VLA-UNK-c65c1026-2
0.447
VLA-UNK-f702bf1c-7
0.439
VLA-UCB-34f3ed0c-15
0.439
VLA-UNK-f702bf1c-4
0.436
VLA-UNK-f702bf1c-2
0.435
VLA-UNK-f702bf1c-6
0.435
VLA-UCB-34f3ed0c-14
0.435
DAR-DIA-ecdbc7dd-13
0.434
MAT-POS-e6dd326d-1
0.433
MAT-POS-45b13633-1
0.433
EDG-MED-971238d3-5
0.433
MAT-POS-2bb0cf2b-1
0.433
VLA-UNK-c65c1026-5
0.433
VLA-UCB-34f3ed0c-18
0.432
EDG-MED-90036822-86
0.427
VLA-UNK-83c3754c-2
0.427
DAR-DIA-ecdbc7dd-4
0.426
EDG-MED-971238d3-6
0.425
MAT-POS-9db1e783-2
0.423
EDG-MED-971238d3-2
0.423
MAT-POS-f9802937-4
0.422
MAT-POS-5d65ec79-1
0.422
MAT-POS-f9802937-3
0.422
VLA-UCB-34f3ed0c-16
0.421
VLA-UCB-34f3ed0c-17
0.420
VLA-UNK-f702bf1c-3
0.419
DAR-DIA-ecdbc7dd-3
0.418
EDG-MED-971238d3-4
0.417
MAT-POS-2905de8c-1
0.417
MAT-POS-3b97339c-2
0.417
RAL-THA-e002e396-1
0.417
RAL-THA-e002e396-2
0.417
VLA-UNK-f702bf1c-8
0.415
VLA-UNK-f702bf1c-1
0.415
MAT-POS-e6dd326d-2
0.415
MAT-POS-45b13633-2
0.415
RAL-THA-e002e396-9
0.414
JOH-UNI-6e27fddc-4
0.413
VLA-UNK-f702bf1c-5
0.413
MAT-POS-e6dd326d-4
0.413
RAL-THA-e002e396-6
0.413
EDG-MED-971238d3-1
0.412
MAT-POS-8e4737f4-1
0.412
DAR-DIA-6a508060-10
0.412
BEN-DND-a7517465-4
0.412
MAT-POS-2905de8c-3
0.412
MAT-POS-9db1e783-1
0.412
EDJ-MED-e4b030d8-13
0.412
KAD-UNI-8a629cb0-27
0.412
RAL-THA-58fba2bc-3
0.411
RAL-THA-58fba2bc-1
0.411
EDG-MED-971238d3-10
0.411
MAT-POS-45b13633-4
0.411
EDG-MED-971238d3-9
0.411
JAG-UCB-706446eb-3
0.411
EDG-MED-971238d3-3
0.411
DAR-DIA-ecdbc7dd-5
0.411
DAR-DIA-ecdbc7dd-11
0.411
EDG-MED-0e5afe9d-3
0.410