Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccncc23)CCCC12CCOc1ccc(Cl)cc12 |
MW: | 379.11 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 55.32 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-e0fe77e5-5
0.744
MAT-POS-e20a5dfb-1
0.736
MAT-POS-e20a5dfb-2
0.736
ALP-POS-477dc5b7-5
0.736
ALP-POS-e0fe77e5-7
0.736
ALP-POS-e0fe77e5-9
0.638
ALP-POS-e0fe77e5-14
0.629
EDJ-MED-159244ea-1
0.621
ALP-POS-477dc5b7-4
0.621
MAT-POS-983b399a-1
0.621
ALP-POS-e0fe77e5-11
0.571
VLA-UNK-c65c1026-1
0.535
ALP-POS-e0fe77e5-4
0.529
VLA-UCB-50c39ae8-3
0.477
VLA-UCB-05e51b3f-6
0.477
JAG-UCB-f37eaa14-3
0.476
MAT-POS-8293a91a-8
0.467
VLA-UCB-34f3ed0c-12
0.463
ALP-POS-e0fe77e5-6
0.462
BEN-BAS-c2bc0d80-3
0.458
ALP-POS-e0fe77e5-13
0.450
VLA-UCB-05e51b3f-5
0.449
MAT-POS-94643566-1
0.449
BEN-BAS-c2bc0d80-6
0.449
VLA-UCB-50c39ae8-2
0.449
EDG-MED-fe7487f8-12
0.433
MAT-POS-983b399a-3
0.430
EDJ-MED-159244ea-3
0.430
DAR-DIA-0f7b7cd9-9
0.426
DAR-DIA-6be260fc-6
0.418
EDJ-MED-611d11e7-10
0.409
MAT-POS-a5ef2d74-3
0.409
PET-UNK-f4e47ebd-17
0.409
ALP-POS-e0fe77e5-2
0.404
PET-UNK-aa57768f-5
0.402
PET-UNK-aa57768f-11
0.402
PET-UNK-aa57768f-4
0.402
PET-UNK-aa57768f-10
0.402
ALP-POS-e0fe77e5-10
0.400
ERI-UCB-b3e6b0c2-18
0.400
NIR-THE-1e03c142-1
0.396
ERI-UCB-b3e6b0c2-19
0.392
EDJ-MED-7587a9ee-2
0.391
PET-UNK-aa57768f-6
0.390
PET-UNK-aa57768f-12
0.390
BRU-THA-73c97d88-1
0.387
DAR-DIA-6be260fc-5
0.384
ALP-POS-e0fe77e5-15
0.384
DAR-DIA-0f7b7cd9-8
0.384
PET-UNK-14142a25-2
0.383
PET-UNK-14142a25-11
0.383
EDJ-MED-159244ea-2
0.382
MAT-POS-983b399a-2
0.382
VLA-UNK-cf7facf1-1
0.378
VLA-UCB-34f3ed0c-11
0.378
VLA-UCB-29506327-1
0.378
ALP-POS-133e7cd9-1
0.378
BEN-BAS-c2bc0d80-7
0.377
LUO-POS-e1dab717-13
0.377
ALP-POS-133e7cd9-2
0.376
MAT-POS-ec6d90b7-1
0.375
MAT-POS-ec6d90b7-2
0.375
EDJ-MED-d4864bdc-3
0.375
ALP-POS-41e2080f-1
0.375
EDJ-MED-94fddcec-4
0.375
MAT-POS-90505e2b-1
0.375
VLA-UNK-c65c1026-6
0.372
LUO-POS-e1dab717-14
0.368
PET-UNK-14142a25-3
0.368
PET-UNK-14142a25-12
0.368
VLA-UNK-ba665ac8-1
0.362
VLA-UCB-34f3ed0c-15
0.360
JAG-UCB-f37eaa14-1
0.360
VLA-UNK-c65c1026-2
0.360
PET-UNK-7e9559de-5
0.357
PET-UNK-7e9559de-2
0.357
ALP-POS-ecbed2ba-20
0.356
VLA-UNK-ba665ac8-2
0.356
JAG-UCB-f37eaa14-2
0.354
DAR-DIA-6be260fc-1
0.354
VLA-UNK-3bd6fc51-1
0.353
JAG-UCB-f37eaa14-5
0.352
EDJ-MED-cc48ee33-7
0.352
EDJ-MED-0d144977-3
0.352
MAT-POS-a9372f04-1
0.351
EDJ-MED-e78d5f1a-1
0.351
DAR-DIA-ecdbc7dd-13
0.350
PET-UNK-37c7074c-2
0.350
PET-UNK-37c7074c-4
0.350
VLA-UNK-f702bf1c-7
0.349
EDJ-MED-94fddcec-6
0.347
PET-UNK-aa57768f-1
0.347
PET-UNK-aa57768f-7
0.347
VLA-UCB-34f3ed0c-14
0.346
VLA-UNK-f702bf1c-2
0.346
VLA-UNK-f702bf1c-6
0.346
ALP-POS-e0fe77e5-12
0.345
VLA-UCB-53bdeed6-5
0.345
EDJ-MED-a6bab6fb-1
0.345
PET-UNK-aa57768f-8
0.345