Molecular Properties | |
SMILES: | O=C1N(Cc2ccc(Cl)cc2Cl)CCN1c1cncc2ccccc12 |
MW: | 371.06 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.44 |
cLogP: | 4.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-111
0.588
PET-UNK-7be94445-2
0.512
MAT-UCL-e2ab2224-1
0.500
JUL-TUD-06b2044f-89
0.485
PET-UNK-7be94445-1
0.483
DAR-DIA-0f7b7cd9-10
0.456
DAR-DIA-0f7b7cd9-5
0.446
DAR-DIA-0f7b7cd9-7
0.433
BEN-DND-d1eb1f41-15
0.432
PET-UNK-c9c1e0d8-4
0.430
GIA-UNK-80c9bc96-1
0.430
EDG-MED-5d232de5-8
0.430
EDG-MED-5d232de5-7
0.430
YVE-CNR-132fc2df-1
0.430
DAR-DIA-5d6f1b43-10
0.424
BEN-DND-d1eb1f41-7
0.421
MAT-POS-24589f88-14
0.421
ALP-POS-df536be7-4
0.419
BEN-DND-d1eb1f41-8
0.418
MAT-POS-a9372f04-1
0.418
MAT-POS-d8472c4f-1
0.415
MAT-POS-8695a11f-3
0.415
MAT-POS-8695a11f-1
0.415
BEN-DND-d1eb1f41-9
0.414
ALP-UNI-58319883-1
0.407
JUL-TUD-06b2044f-110
0.406
PET-UNK-c9c1e0d8-3
0.406
JAG-UCB-f37eaa14-2
0.406
DAR-DIA-6be260fc-1
0.406
PET-UNK-aa57768f-2
0.406
PET-UNK-aa57768f-8
0.406
PET-UNK-aa57768f-9
0.406
PET-UNK-aa57768f-3
0.406
ALP-POS-ce760d3f-8
0.404
DAR-DIA-b80f1cd7-2
0.404
ALP-UNI-dbb9503d-1
0.402
VLA-UCB-1dbca3b4-13
0.400
ALP-POS-e0fe77e5-1
0.400
ALP-UNI-3735e77e-1
0.400
PET-UNK-14142a25-1
0.398
MIK-ENA-794411b8-1
0.398
LUO-POS-9931618f-2
0.398
EDJ-MED-8bb691af-8
0.398
LUO-POS-9931618f-1
0.398
MIK-ENA-37e0b697-1
0.398
PET-UNK-14142a25-10
0.398
DAR-DIA-6be260fc-5
0.398
ALP-UNI-58319883-2
0.398
PET-UNK-431b3bfb-1
0.398
PET-UNK-6af7266d-1
0.396
JAG-UCB-f37eaa14-4
0.396
PET-UNK-6af7266d-3
0.396
JAG-UCB-f37eaa14-3
0.396
DAR-DIA-6be260fc-6
0.394
EDJ-MED-96f6b92c-1
0.394
ALP-POS-c3a90b22-5
0.393
DAR-DIA-b80f1cd7-1
0.392
PET-UNK-aa57768f-11
0.391
JOH-MSK-4bb3d434-1
0.391
PET-UNK-aa57768f-5
0.391
PET-UNK-aa57768f-6
0.391
PET-UNK-aa57768f-12
0.391
DAR-DIA-5d6f1b43-12
0.390
VLA-UNK-5d8210f0-5
0.389
LUO-POS-f7b1afe6-3
0.389
MAT-POS-983b399a-1
0.388
ALP-POS-41e2080f-1
0.388
EDJ-MED-94fddcec-4
0.388
ALP-POS-477dc5b7-4
0.388
DAR-DIA-6be260fc-3
0.388
EDJ-MED-159244ea-1
0.388
DAR-DIA-0f7b7cd9-9
0.388
EDJ-MED-d4864bdc-3
0.388
JAG-UCB-f37eaa14-5
0.387
VLA-UCB-1dbca3b4-3
0.387
EDJ-MED-7587a9ee-3
0.387
DAR-DIA-6be260fc-2
0.387
ALP-POS-e0fe77e5-13
0.387
ALP-UNI-dbb9503d-2
0.386
EDJ-MED-0d144977-3
0.386
EDJ-MED-40e596c8-5
0.386
EDJ-MED-cc48ee33-7
0.386
VLA-UNK-c65c1026-1
0.385
PET-UNK-14142a25-11
0.384
VLA-UNK-5d8210f0-4
0.384
PET-UNK-14142a25-2
0.384
PET-UNK-37c7074c-1
0.384
PET-UNK-37c7074c-3
0.384
PET-UNK-37c7074c-2
0.384
PET-UNK-37c7074c-4
0.384
MAT-UCL-e2ab2224-2
0.383
JAG-UCB-f37eaa14-9
0.383
JAG-UCB-c37fbdcd-1
0.382
PET-UNK-aa57768f-1
0.381
LUO-POS-f7b1afe6-1
0.381
ALP-POS-01611061-2
0.381
JAG-UCB-f37eaa14-8
0.381
PET-UNK-aa57768f-7
0.381
EDJ-MED-0d144977-2
0.381
LUO-POS-e1dab717-19
0.380