Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CCCC12COc1ccc(Cl)cc12 |
MW: | 364.1 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 42.43 |
cLogP: | 4.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-f37eaa14-3
0.840
MAT-POS-e20a5dfb-1
0.742
ALP-POS-477dc5b7-5
0.742
MAT-POS-e20a5dfb-2
0.742
ALP-POS-e0fe77e5-7
0.742
MAT-POS-983b399a-1
0.641
ALP-POS-477dc5b7-4
0.641
EDJ-MED-159244ea-1
0.641
JAG-UCB-f37eaa14-1
0.617
VLA-UNK-c65c1026-2
0.617
DAR-DIA-6be260fc-6
0.611
MAT-POS-8293a91a-8
0.589
ALP-POS-e0fe77e5-13
0.582
ALP-POS-e0fe77e5-4
0.577
EDJ-MED-7587a9ee-2
0.570
VLA-UNK-c65c1026-6
0.551
PET-UNK-aa57768f-11
0.548
PET-UNK-aa57768f-12
0.548
ALP-POS-133e7cd9-1
0.548
PET-UNK-aa57768f-6
0.548
PET-UNK-aa57768f-5
0.548
LUO-POS-e1dab717-13
0.542
PET-UNK-aa57768f-10
0.541
PET-UNK-aa57768f-4
0.541
PET-UNK-14142a25-2
0.538
PET-UNK-14142a25-11
0.538
ALP-POS-e0fe77e5-8
0.535
MAT-POS-983b399a-3
0.531
EDJ-MED-159244ea-3
0.531
PET-UNK-14142a25-12
0.527
LUO-POS-e1dab717-14
0.527
PET-UNK-14142a25-3
0.527
DAR-DIA-0f7b7cd9-9
0.525
ALP-POS-e0fe77e5-10
0.525
ALP-POS-133e7cd9-2
0.523
VLA-UCB-05e51b3f-5
0.520
VLA-UCB-50c39ae8-2
0.520
MAT-POS-94643566-1
0.520
BEN-BAS-c2bc0d80-6
0.520
ERI-UCB-b3e6b0c2-19
0.519
MAT-POS-a9372f04-1
0.515
JAG-UCB-f37eaa14-2
0.515
DAR-DIA-6be260fc-1
0.515
BEN-BAS-c2bc0d80-3
0.515
ERI-UCB-b3e6b0c2-18
0.514
PET-UNK-7e9559de-2
0.514
PET-UNK-7e9559de-5
0.514
VLA-UNK-83c3754c-1
0.510
VLA-UNK-70dd90ef-4
0.510
EDJ-MED-96f6b92c-1
0.505
VLA-UCB-34f3ed0c-12
0.505
VLA-UNK-83c3754c-2
0.500
EDJ-MED-94fddcec-4
0.495
ALP-POS-41e2080f-1
0.495
EDJ-MED-d4864bdc-3
0.495
VLA-UNK-3bd6fc51-1
0.491
VLA-UCB-05e51b3f-6
0.490
VLA-UCB-50c39ae8-3
0.490
VLA-UNK-c65c1026-5
0.490
DAR-DIA-6be260fc-5
0.490
JAG-UCB-f37eaa14-9
0.486
VLA-UCB-34f3ed0c-11
0.485
VLA-UCB-29506327-1
0.485
VLA-UNK-cf7facf1-1
0.485
PET-UNK-37c7074c-2
0.482
PET-UNK-37c7074c-4
0.482
ALP-POS-ecbed2ba-20
0.481
LUO-POS-e1dab717-19
0.481
ALP-UNI-dbb9503d-2
0.480
LUO-POS-ed2cfb03-2
0.477
JAG-UCB-f37eaa14-6
0.477
ALP-POS-4483ae88-1
0.476
EDJ-MED-f9b78f78-4
0.476
EDJ-MED-7587a9ee-3
0.476
DAR-DIA-0f7b7cd9-8
0.476
JAG-UCB-f37eaa14-7
0.473
MAT-POS-c7726e07-5
0.472
LUO-POS-868e8996-11
0.472
LUO-POS-868e8996-12
0.472
MAT-POS-c7726e07-6
0.472
EDJ-MED-8bb691af-4
0.472
PET-UNK-aa57768f-3
0.467
PET-UNK-aa57768f-8
0.467
PET-UNK-aa57768f-2
0.467
PET-UNK-aa57768f-9
0.467
BEN-BAS-c2bc0d80-7
0.467
MAT-POS-ec6d90b7-1
0.466
MAT-POS-90505e2b-1
0.466
BRU-THA-73c97d88-1
0.466
MAT-POS-ec6d90b7-2
0.466
EDJ-MED-98c0a822-3
0.465
ALP-POS-c3a90b22-4
0.465
ALP-POS-c3a90b22-1
0.465
EDJ-MED-cc48ee33-3
0.464
PET-UNK-aa57768f-7
0.464
PET-UNK-aa57768f-1
0.464
JAG-UCB-f37eaa14-8
0.464
ALP-POS-c3a90b22-2
0.464
VLA-UNK-ba665ac8-1
0.462
MAT-POS-983b399a-2
0.461