Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccncc23)CCCC12CCNc1ccc(Cl)cc12 |
MW: | 378.12 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 58.12 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-e0fe77e5-11
0.750
ALP-POS-e0fe77e5-13
0.736
ALP-POS-e0fe77e5-8
0.629
DAR-DIA-6be260fc-5
0.615
ALP-POS-e0fe77e5-15
0.615
ALP-POS-e0fe77e5-5
0.554
ALP-POS-e0fe77e5-10
0.540
DAR-DIA-6be260fc-6
0.529
JAG-UCB-f37eaa14-2
0.457
DAR-DIA-6be260fc-1
0.457
ALP-POS-e0fe77e5-12
0.451
ALP-POS-477dc5b7-5
0.450
MAT-POS-e20a5dfb-1
0.450
MAT-POS-e20a5dfb-2
0.450
ALP-POS-e0fe77e5-7
0.450
MAT-POS-a9372f04-1
0.415
VLA-UNK-c65c1026-1
0.409
ALP-POS-e0fe77e5-2
0.404
PET-UNK-aa57768f-5
0.402
PET-UNK-aa57768f-11
0.402
EDJ-MED-7587a9ee-2
0.391
PET-UNK-aa57768f-4
0.390
PET-UNK-aa57768f-10
0.390
PET-UNK-aa57768f-6
0.390
PET-UNK-aa57768f-12
0.390
PET-UNK-14142a25-2
0.383
PET-UNK-14142a25-11
0.383
ALP-POS-e0fe77e5-4
0.381
ALP-POS-133e7cd9-1
0.378
DAR-DIA-6be260fc-4
0.377
ALP-POS-477dc5b7-4
0.375
ALP-POS-e0fe77e5-9
0.375
JAG-UCB-f37eaa14-5
0.375
BRU-THA-55eab31a-1
0.375
EDJ-MED-159244ea-1
0.375
MAT-POS-983b399a-1
0.375
DAR-DIA-6be260fc-2
0.374
VLA-UNK-c65c1026-4
0.373
PET-UNK-14142a25-3
0.368
LUO-POS-e1dab717-14
0.368
PET-UNK-14142a25-12
0.368
LUO-POS-e1dab717-13
0.366
YVE-CNR-132fc2df-1
0.363
DAR-DIA-6be260fc-3
0.363
EDJ-MED-94fddcec-4
0.363
ALP-POS-41e2080f-1
0.363
EDJ-MED-d4864bdc-3
0.363
VLA-UNK-c65c1026-3
0.360
PET-UNK-7e9559de-5
0.357
JAG-UCB-f37eaa14-3
0.357
PET-UNK-7e9559de-2
0.357
ALP-POS-ecbed2ba-20
0.356
ALP-POS-133e7cd9-2
0.354
MAT-POS-8293a91a-8
0.351
JAG-UCB-f37eaa14-9
0.347
JAG-UCB-f37eaa14-8
0.347
PET-UNK-aa57768f-8
0.345
PET-UNK-aa57768f-2
0.345
EDJ-MED-96f6b92c-1
0.342
VLA-UNK-3bd6fc51-1
0.342
JAG-UCB-f37eaa14-6
0.342
ALP-POS-4483ae88-1
0.339
EDJ-MED-f9b78f78-4
0.339
EDG-MED-b1ef7fe3-1
0.339
LUO-POS-8c3e556a-1
0.339
LUO-POS-8c3e556a-2
0.339
EDJ-MED-3707c4bc-2
0.339
LUO-POS-e1dab717-4
0.336
PET-UNK-aa57768f-1
0.336
PET-UNK-aa57768f-7
0.336
ALP-POS-ecbed2ba-13
0.336
LUO-POS-e1dab717-19
0.333
MAT-POS-ddfe83c6-6
0.333
PET-UNK-aa57768f-3
0.333
PET-UNK-aa57768f-9
0.333
ALP-POS-c3a90b22-7
0.331
JAG-UCB-f37eaa14-7
0.331
EDJ-MED-94fddcec-5
0.331
EDJ-MED-0d144977-5
0.328
ALP-POS-c3a90b22-1
0.328
EDJ-MED-98c0a822-3
0.328
PET-UNK-6af7266d-1
0.328
PET-UNK-6af7266d-3
0.328
PET-UNK-37c7074c-1
0.328
PET-UNK-37c7074c-3
0.328
JAG-UCB-f37eaa14-4
0.328
LUO-POS-868e8996-12
0.328
LUO-POS-9931618f-2
0.328
EDJ-MED-8bb691af-4
0.328
PET-UNK-14142a25-10
0.328
EDJ-MED-8bb691af-8
0.328
MAT-POS-c7726e07-5
0.328
LUO-POS-868e8996-11
0.328
MAT-POS-c7726e07-6
0.328
PET-UNK-14142a25-1
0.328
MIK-ENA-37e0b697-1
0.328
LUO-POS-9931618f-1
0.328
MIK-ENA-794411b8-1
0.328
EDJ-MED-7587a9ee-3
0.328
YVE-CNR-7d92d73e-1
0.328