Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)N=CC12CCOc1ccc(Cl)cc12 |
MW: | 363.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 54.79 |
cLogP: | 3.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
BRU-THA-55eab31a-1
0.596
VLA-UNK-cf7facf1-1
0.552
VLA-UCB-29506327-1
0.552
VLA-UCB-34f3ed0c-11
0.552
DAR-DIA-0f7b7cd9-9
0.546
EDJ-MED-159244ea-1
0.546
MAT-POS-983b399a-1
0.546
ALP-POS-477dc5b7-4
0.546
BEN-BAS-c2bc0d80-6
0.541
MAT-POS-94643566-1
0.541
VLA-UCB-50c39ae8-2
0.541
VLA-UCB-05e51b3f-5
0.541
VLA-UNK-ba665ac8-1
0.540
VLA-UCB-05e51b3f-6
0.540
VLA-UCB-50c39ae8-3
0.540
BEN-BAS-c2bc0d80-3
0.535
MAT-POS-90505e2b-1
0.531
MAT-POS-ec6d90b7-1
0.531
MAT-POS-ec6d90b7-2
0.531
DAR-DIA-0f7b7cd9-8
0.525
MAT-POS-e20a5dfb-2
0.525
MAT-POS-e20a5dfb-1
0.525
ALP-POS-e0fe77e5-7
0.525
ALP-POS-477dc5b7-5
0.525
VLA-UCB-34f3ed0c-12
0.525
EDJ-MED-159244ea-3
0.520
MAT-POS-983b399a-3
0.520
BEN-BAS-c2bc0d80-7
0.515
VLA-UNK-ba665ac8-2
0.515
EDJ-MED-fed7ac0b-4
0.505
VLA-UNK-c65c1026-2
0.495
EDJ-MED-159244ea-2
0.495
MAT-POS-983b399a-2
0.495
VLA-UNK-83c3754c-1
0.485
VLA-UNK-70dd90ef-4
0.485
JAG-UCB-f37eaa14-3
0.480
VLA-UNK-83c3754c-2
0.475
VLA-UCB-34f3ed0c-15
0.469
VLA-UNK-c65c1026-1
0.466
VLA-UNK-c65c1026-5
0.466
VLA-UNK-f702bf1c-7
0.456
VLA-UNK-f702bf1c-2
0.452
VLA-UCB-34f3ed0c-14
0.452
VLA-UNK-f702bf1c-6
0.452
VLA-UNK-c65c1026-6
0.452
VLA-UNK-f702bf1c-3
0.448
VLA-UNK-f702bf1c-1
0.444
VLA-UNK-f702bf1c-8
0.444
MAT-POS-9db1e783-2
0.442
EDG-MED-971238d3-2
0.442
VLA-UNK-f702bf1c-4
0.441
DAR-DIA-ecdbc7dd-13
0.439
NIR-THE-1e03c142-1
0.438
EDG-MED-971238d3-5
0.438
MAT-POS-2bb0cf2b-1
0.438
MAT-POS-e6dd326d-1
0.438
MAT-POS-45b13633-1
0.438
VLA-UCB-34f3ed0c-17
0.437
VLA-UCB-34f3ed0c-18
0.437
ADA-UCB-dc2b944c-1
0.437
MAT-POS-9db1e783-1
0.431
EDG-MED-971238d3-1
0.431
MAT-POS-f9802937-6
0.431
MAT-POS-5d65ec79-2
0.431
MAT-POS-f9802937-5
0.431
DAR-DIA-ecdbc7dd-4
0.431
MAT-POS-45b13633-4
0.430
RAL-THA-58fba2bc-1
0.430
EDG-MED-971238d3-10
0.430
VLA-UNK-f702bf1c-5
0.430
MAT-POS-5d65ec79-1
0.427
MAT-POS-f9802937-4
0.427
MAT-POS-f9802937-3
0.427
VLA-UCB-34f3ed0c-16
0.426
MIC-UNK-6e9f8a43-2
0.425
DAR-DIA-ecdbc7dd-3
0.423
RAL-THA-e002e396-2
0.422
RAL-THA-e002e396-1
0.422
DAR-DIA-ecdbc7dd-18
0.421
MAT-POS-45b13633-2
0.421
MAT-POS-e6dd326d-2
0.421
RAL-THA-e002e396-7
0.420
EDG-MED-90036822-86
0.419
RAL-THA-e002e396-6
0.418
MAT-POS-e6dd326d-9
0.418
MAT-POS-2905de8c-3
0.417
BEN-DND-a7517465-4
0.417
EDJ-MED-e4b030d8-13
0.417
MAT-POS-8e4737f4-1
0.417
DAR-DIA-6a508060-10
0.417
RAL-THA-58fba2bc-3
0.417
EDG-MED-971238d3-6
0.417
EDG-MED-971238d3-9
0.417
VLA-UNK-3a43cd95-3
0.417
EDG-MED-971238d3-3
0.417
JAG-UCB-706446eb-3
0.417
DAR-DIA-ecdbc7dd-11
0.416
DAR-DIA-ecdbc7dd-5
0.416
MAT-POS-45b13633-5
0.414
EDJ-MED-d203f206-29
0.413