Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)NCC12CCOc1ccc(Cl)cc12 |
MW: | 365.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 54.46 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter20_hydrazine
VLA-UCB-1dbca3b4-15
VLA-UCB-34f3ed0c-12
0.677
ALP-POS-477dc5b7-4
0.617
MAT-POS-983b399a-1
0.617
EDJ-MED-159244ea-1
0.617
VLA-UCB-05e51b3f-5
0.611
VLA-UCB-50c39ae8-2
0.611
MAT-POS-94643566-1
0.611
BEN-BAS-c2bc0d80-6
0.611
ALP-POS-477dc5b7-5
0.608
ALP-POS-e0fe77e5-7
0.608
MAT-POS-e20a5dfb-1
0.608
MAT-POS-e20a5dfb-2
0.608
VLA-UCB-05e51b3f-6
0.592
VLA-UCB-50c39ae8-3
0.592
VLA-UCB-29506327-1
0.557
VLA-UCB-34f3ed0c-11
0.557
VLA-UNK-cf7facf1-1
0.557
EDJ-MED-fed7ac0b-2
0.536
BRU-THA-73c97d88-1
0.535
DAR-DIA-0f7b7cd9-9
0.535
EDJ-MED-159244ea-3
0.525
MAT-POS-983b399a-3
0.525
EDJ-MED-fed7ac0b-1
0.523
EDJ-MED-fed7ac0b-3
0.522
MAT-POS-ec6d90b7-2
0.520
MAT-POS-90505e2b-1
0.520
MAT-POS-ec6d90b7-1
0.520
JAG-UCB-f37eaa14-3
0.515
DAR-DIA-0f7b7cd9-8
0.515
VLA-UNK-c65c1026-6
0.515
VLA-UNK-c65c1026-1
0.515
VLA-UNK-ba665ac8-1
0.515
BEN-BAS-c2bc0d80-7
0.505
EDJ-MED-159244ea-2
0.500
VLA-UNK-c65c1026-2
0.500
MAT-POS-983b399a-2
0.500
VLA-UNK-ba665ac8-2
0.491
NIR-THE-1e03c142-1
0.485
VLA-UNK-83c3754c-1
0.475
VLA-UNK-70dd90ef-4
0.475
VLA-UCB-34f3ed0c-15
0.461
VLA-UNK-f702bf1c-7
0.461
ALP-POS-e0fe77e5-8
0.458
MAT-POS-e6dd326d-1
0.457
EDG-MED-971238d3-5
0.457
VLA-UNK-c65c1026-5
0.457
MAT-POS-2bb0cf2b-1
0.457
MAT-POS-45b13633-1
0.457
VLA-UNK-f702bf1c-2
0.457
VLA-UNK-f702bf1c-3
0.453
VLA-UNK-83c3754c-2
0.452
VLA-UNK-f702bf1c-8
0.449
VLA-UNK-f702bf1c-1
0.449
EDG-MED-971238d3-6
0.449
VLA-UNK-3a43cd95-3
0.449
EDG-MED-971238d3-2
0.448
MAT-POS-9db1e783-2
0.448
VLA-UNK-f702bf1c-4
0.445
VLA-UNK-f702bf1c-6
0.444
VLA-UCB-34f3ed0c-14
0.444
VLA-UCB-34f3ed0c-18
0.442
ALP-POS-e0fe77e5-4
0.439
EDG-MED-971238d3-7
0.436
EDG-MED-971238d3-9
0.435
EDG-MED-971238d3-3
0.435
RAL-THA-58fba2bc-3
0.435
JAG-UCB-706446eb-3
0.435
VLA-UNK-f702bf1c-5
0.434
DAR-DIA-ecdbc7dd-13
0.431
VLA-UCB-34f3ed0c-16
0.431
ADA-UCB-dc2b944c-1
0.430
VLA-UCB-34f3ed0c-17
0.430
RAL-THA-e002e396-1
0.427
RAL-THA-e002e396-2
0.427
MAT-POS-e6dd326d-2
0.426
MAT-POS-45b13633-2
0.426
DAR-DIA-6be260fc-6
0.426
VLA-UNK-3a43cd95-1
0.426
DAR-DIA-6be260fc-1
0.425
JAG-UCB-f37eaa14-2
0.425
DAR-DIA-ecdbc7dd-4
0.423
EDG-MED-971238d3-8
0.423
RAL-THA-58fba2bc-1
0.422
MAT-POS-45b13633-4
0.422
EDG-MED-971238d3-10
0.422
EDJ-MED-28ec730d-2
0.420
MAT-POS-5d65ec79-1
0.420
MAT-POS-f9802937-3
0.420
MAT-POS-f9802937-4
0.420
ALP-POS-4483ae88-1
0.418
EDJ-MED-f9b78f78-4
0.418
MAT-POS-e6dd326d-3
0.418
MAT-POS-45b13633-3
0.418
EDJ-MED-fcba3f31-10
0.417
VLA-UNK-c65c1026-3
0.417
ALP-POS-477dc5b7-3
0.416
DAR-DIA-ecdbc7dd-3
0.416
VLA-UNK-56836b69-2
0.415
RAL-THA-e002e396-11
0.414
PET-UNK-37c7074c-2
0.414