Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)N=CC12CCNc1ccc(Cl)cc12 |
MW: | 362.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 57.59 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
BRU-THA-73c97d88-1
0.596
DAR-DIA-6be260fc-5
0.525
ALP-POS-e0fe77e5-13
0.510
EDJ-MED-fed7ac0b-4
0.491
VLA-UNK-70dd90ef-1
0.485
VLA-UNK-c65c1026-4
0.485
VLA-UNK-c65c1026-3
0.480
JAG-UCB-f37eaa14-2
0.475
DAR-DIA-6be260fc-1
0.475
MAT-POS-a9372f04-1
0.475
DAR-DIA-6be260fc-3
0.471
DAR-DIA-6be260fc-6
0.462
YVE-CNR-7d92d73e-1
0.456
DAR-DIA-6be260fc-4
0.443
VLA-UNK-70dd90ef-3
0.441
DAR-DIA-6be260fc-2
0.439
DAR-DIA-ecdbc7dd-15
0.438
YVE-CNR-132fc2df-1
0.429
MIC-UNK-ea4eb352-3
0.425
MAT-POS-d8472c4f-3
0.425
DAR-DIA-ecdbc7dd-14
0.422
VLA-UNK-70dd90ef-2
0.422
DAR-DIA-ecdbc7dd-9
0.411
VLA-UCB-29506327-1
0.406
VLA-UNK-cf7facf1-1
0.406
VLA-UCB-34f3ed0c-11
0.406
DAR-DIA-ecdbc7dd-10
0.405
DAR-DIA-ecdbc7dd-8
0.404
VLA-UCB-34f3ed0c-12
0.400
VLA-UNK-83c3754c-1
0.400
VLA-UNK-70dd90ef-4
0.400
DAR-DIA-ecdbc7dd-17
0.398
VLA-UNK-c65c1026-6
0.398
VLA-UNK-c65c1026-2
0.398
DAR-DIA-ecdbc7dd-12
0.397
BEN-BAS-c2bc0d80-3
0.394
DAR-DIA-ecdbc7dd-7
0.393
DAR-DIA-ecdbc7dd-19
0.393
VLA-MRT-a639d434-3
0.393
VLA-MRT-8c78ee15-2
0.393
VLA-MRT-8c78ee15-1
0.393
ALP-POS-477dc5b7-4
0.389
ALP-POS-e0fe77e5-10
0.389
JOH-MSK-1f2dff76-3
0.389
JOH-MSK-1f2dff76-4
0.389
EDJ-MED-159244ea-1
0.389
MAT-POS-983b399a-1
0.389
JAG-UCB-f37eaa14-5
0.388
VLA-UCB-05e51b3f-6
0.387
VLA-UCB-50c39ae8-3
0.387
VLA-UNK-ba665ac8-1
0.387
VLA-UCB-50c39ae8-2
0.385
VLA-UCB-05e51b3f-5
0.385
BEN-BAS-c2bc0d80-6
0.385
MAT-POS-94643566-1
0.385
VLA-UNK-c65c1026-5
0.385
JAG-UCB-f37eaa14-9
0.384
JAG-UCB-f37eaa14-3
0.383
EDJ-MED-2f867453-1
0.381
VLA-UNK-83c3754c-2
0.380
EDJ-MED-159244ea-3
0.380
MAT-POS-983b399a-3
0.380
VLA-UNK-5d8210f0-5
0.378
JAG-UCB-f37eaa14-6
0.377
MAT-POS-90505e2b-1
0.376
MAT-POS-ec6d90b7-1
0.376
MAT-POS-ec6d90b7-2
0.376
EDJ-MED-94fddcec-4
0.376
ALP-POS-41e2080f-1
0.376
EDJ-MED-d4864bdc-3
0.376
DAR-DIA-0f7b7cd9-9
0.376
ALP-POS-477dc5b7-5
0.375
ALP-POS-e0fe77e5-14
0.375
MAT-POS-e20a5dfb-1
0.375
MAT-POS-e20a5dfb-2
0.375
ALP-POS-4483ae88-1
0.375
EDJ-MED-f9b78f78-4
0.375
ALP-POS-e0fe77e5-7
0.375
VLA-UNK-5d8210f0-4
0.373
DAR-DIA-0f7b7cd9-8
0.373
VLA-UNK-c65c1026-1
0.373
JAG-UCB-f37eaa14-8
0.370
PET-UNK-aa57768f-8
0.368
VLA-MRT-a639d434-2
0.368
VLA-MRT-8c78ee15-4
0.368
PET-UNK-aa57768f-2
0.368
PET-UNK-aa57768f-3
0.368
PET-UNK-aa57768f-9
0.368
DAR-DIA-ecdbc7dd-6
0.368
BEN-DND-f2e727cd-2
0.368
BEN-BAS-c2bc0d80-7
0.366
VLA-UNK-3bd6fc51-1
0.365
LUO-POS-ed2cfb03-2
0.365
PET-UNK-4dc48bbe-8
0.364
JOH-MSK-51c67e7d-2
0.364
JOH-MSK-51c67e7d-1
0.364
EDJ-MED-7587a9ee-3
0.363
PET-UNK-4dc48bbe-6
0.363
VLA-UCB-1dbca3b4-17
0.363
PET-UNK-37c7074c-2
0.361