Molecular Properties | |
SMILES: | O=C1N(c2cccc(Cl)c2)CCCN1c1cncc2ccccc12 |
MW: | 337.1 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.44 |
cLogP: | 4.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-1
PET-UNK-7be94445-2
0.818
DAR-DIA-5d6f1b43-12
0.610
DAR-DIA-5d6f1b43-10
0.595
VLA-UCB-1dbca3b4-13
0.595
DAR-DIA-0f7b7cd9-7
0.584
VLA-UCB-1dbca3b4-3
0.564
PET-UNK-c9c1e0d8-3
0.524
EDJ-MED-96f6b92c-1
0.506
DAR-DIA-0f7b7cd9-5
0.500
EDG-MED-5d232de5-7
0.500
MAT-POS-8695a11f-1
0.500
MAT-POS-8695a11f-3
0.500
EDG-MED-5d232de5-8
0.500
PET-UNK-c9c1e0d8-4
0.500
GIA-UNK-80c9bc96-1
0.500
MAT-POS-d8472c4f-1
0.500
ALP-UNI-dbb9503d-2
0.494
MAT-POS-24589f88-14
0.488
BEN-DND-d1eb1f41-7
0.488
ALP-UNI-dbb9503d-1
0.483
JUL-TUD-06b2044f-112
0.483
MIC-UNK-9582b2c5-3
0.479
PET-UNK-431b3bfb-1
0.477
ALP-UNI-58319883-2
0.477
DAR-DIA-0f7b7cd9-6
0.470
PET-UNK-b870596d-1
0.464
DAR-DIA-0f7b7cd9-10
0.459
MAT-UCL-e2ab2224-1
0.458
PET-UNK-b870596d-2
0.453
ALP-POS-ce760d3f-8
0.453
PET-UNK-4dc48bbe-4
0.453
ALP-UNI-3735e77e-1
0.448
ALP-POS-e0fe77e5-1
0.448
JAG-UCB-cedd89ab-1
0.438
VLA-UCB-1dbca3b4-6
0.437
ERI-UCB-d6de1f3c-2
0.433
BEN-DND-d1eb1f41-9
0.430
MIC-UNK-9582b2c5-1
0.430
VLA-UNK-c65c1026-1
0.427
PET-UNK-689df078-3
0.427
MIC-UNK-d854bf4c-1
0.424
MIC-UNK-d854bf4c-3
0.424
DAR-DIA-6be260fc-6
0.423
PET-UNK-e8933450-1
0.422
DAR-DIA-b80f1cd7-1
0.422
DAR-DIA-5d6f1b43-1
0.420
PET-UNK-7b413b46-2
0.420
PET-UNK-7b413b46-6
0.420
PET-UNK-4dc48bbe-6
0.420
VLA-UNK-db5e3064-2
0.420
VLA-UCB-1dbca3b4-17
0.420
MIC-UNK-d854bf4c-5
0.420
MIC-UNK-d854bf4c-7
0.420
BEN-DND-d1eb1f41-8
0.419
DAR-DIA-b80f1cd7-2
0.419
MAT-POS-a9372f04-1
0.419
BEN-DND-d1eb1f41-15
0.418
EDJ-MED-94fddcec-4
0.417
EDJ-MED-d4864bdc-3
0.417
ALP-POS-41e2080f-1
0.417
PET-UNK-94460c07-1
0.416
JUL-TUD-06b2044f-89
0.414
MAT-POS-e20a5dfb-1
0.414
MAT-POS-e20a5dfb-2
0.414
ALP-POS-e0fe77e5-7
0.414
ALP-POS-e0fe77e5-13
0.414
ALP-POS-477dc5b7-5
0.414
DAR-DIA-5d6f1b43-8
0.411
JAG-UCB-f37eaa14-3
0.411
DAR-DIA-5d6f1b43-5
0.409
PET-UNK-5ddd54c7-2
0.409
PET-UNK-7b413b46-8
0.409
PET-UNK-7b413b46-4
0.409
PET-UNK-7a31b064-1
0.409
PET-UNK-689df078-4
0.407
DAR-DIA-5d6f1b43-11
0.407
JAG-UCB-f37eaa14-2
0.406
DAR-DIA-6be260fc-1
0.406
EDJ-MED-7587a9ee-2
0.406
ALP-POS-ecbed2ba-20
0.406
PET-UNK-7b413b46-3
0.404
PET-UNK-7b413b46-7
0.404
PET-UNK-aa57768f-6
0.404
PET-UNK-aa57768f-12
0.404
PET-UNK-689df078-1
0.402
VLA-UCB-1dbca3b4-10
0.402
VLA-UCB-1dbca3b4-18
0.402
PET-UNK-7b413b46-1
0.402
PET-UNK-7b413b46-5
0.402
PET-UNK-abc197b8-1
0.402
MAT-POS-983b399a-1
0.402
ALP-POS-e0fe77e5-10
0.402
EDJ-MED-159244ea-1
0.402
ALP-POS-477dc5b7-4
0.402
YVE-CNR-132fc2df-1
0.402
DAR-DIA-6be260fc-3
0.402
DAR-DIA-5d6f1b43-3
0.400
DAR-DIA-b80f1cd7-10
0.400
DAR-DIA-0f7b7cd9-4
0.400
DAR-DIA-b80f1cd7-8
0.398