Molecular Properties | |
SMILES: | O=C1[C@H](c2cccc(Cl)c2)OCCN1c1cncc2ccccc12 |
MW: | 338.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 42.43 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-c9c1e0d8-3
ALP-UNI-58319883-2
1.000
EDG-MED-5d232de5-7
0.595
PET-UNK-c9c1e0d8-4
0.595
GIA-UNK-80c9bc96-1
0.595
EDG-MED-5d232de5-8
0.595
PET-UNK-689df078-2
0.586
VLA-UNK-db5e3064-1
0.586
BEN-DND-d1eb1f41-7
0.581
PET-UNK-c9c1e0d8-3
0.581
MAT-POS-24589f88-14
0.581
VLA-UNK-db5e3064-2
0.565
PET-UNK-5ddd54c7-1
0.554
MIC-UNK-d854bf4c-3
0.520
MIC-UNK-d854bf4c-7
0.515
MIC-UNK-9582b2c5-1
0.495
MAT-POS-8695a11f-1
0.489
MAT-POS-d8472c4f-1
0.489
MAT-POS-8695a11f-3
0.489
PET-UNK-7be94445-2
0.488
PET-UNK-689df078-3
0.484
PET-UNK-7b413b46-2
0.478
VLA-UCB-1dbca3b4-6
0.478
PET-UNK-7b413b46-6
0.478
VLA-UCB-1dbca3b4-17
0.478
ALP-POS-ce760d3f-8
0.478
PET-UNK-4dc48bbe-6
0.478
PET-UNK-7be94445-1
0.477
MIC-UNK-d854bf4c-1
0.475
ALP-UNI-dbb9503d-1
0.473
MIC-UNK-d854bf4c-5
0.471
MIC-UNK-0a05c952-1
0.469
MIC-UNK-0a05c952-2
0.464
EDJ-MED-96f6b92c-1
0.463
PET-UNK-689df078-4
0.462
DAR-DIA-0f7b7cd9-7
0.461
PET-UNK-7b413b46-3
0.458
PET-UNK-7b413b46-7
0.458
BEN-DND-d1eb1f41-8
0.458
PET-UNK-7b413b46-5
0.457
PET-UNK-7b413b46-1
0.457
PET-UNK-abc197b8-1
0.457
VLA-UCB-1dbca3b4-10
0.457
VLA-UCB-1dbca3b4-18
0.457
BEN-DND-d1eb1f41-15
0.457
PET-UNK-689df078-1
0.457
DAR-DIA-f6ee7aeb-1
0.457
DAR-DIA-f6ee7aeb-6
0.457
ALP-POS-e0fe77e5-1
0.457
ALP-UNI-3735e77e-1
0.457
ALP-UNI-dbb9503d-2
0.454
BEN-DND-d1eb1f41-9
0.454
DAR-DIA-6be260fc-5
0.450
PET-UNK-194f9da3-1
0.449
DAR-DIA-5d6f1b43-10
0.449
PET-UNK-7a31b064-2
0.449
PET-UNK-7b413b46-4
0.448
PET-UNK-3e354a91-1
0.448
PET-UNK-5ddd54c7-2
0.448
PET-UNK-7b413b46-8
0.448
PET-UNK-7a31b064-1
0.448
DAR-DIA-0f7b7cd9-5
0.441
EDJ-MED-159244ea-1
0.440
MAT-POS-983b399a-1
0.440
ALP-POS-477dc5b7-4
0.440
ALP-POS-e0fe77e5-13
0.437
PET-UNK-194f9da3-2
0.430
MAT-POS-a9372f04-1
0.429
MAT-POS-e20a5dfb-1
0.423
MAT-POS-e20a5dfb-2
0.423
ALP-POS-e0fe77e5-7
0.423
ALP-POS-477dc5b7-5
0.423
JAG-UCB-f37eaa14-3
0.420
DAR-DIA-6be260fc-1
0.416
JAG-UCB-f37eaa14-2
0.416
ALP-POS-df536be7-4
0.415
DAR-DIA-5d6f1b43-12
0.414
MIC-UNK-d854bf4c-4
0.413
VLA-UCB-1dbca3b4-3
0.413
ALP-POS-41e2080f-1
0.412
EDJ-MED-94fddcec-4
0.412
EDJ-MED-d4864bdc-3
0.412
DAR-DIA-0f7b7cd9-9
0.412
YVE-CNR-132fc2df-1
0.412
DAR-DIA-6be260fc-3
0.412
VLA-UCB-1dbca3b4-13
0.411
DAR-DIA-6be260fc-2
0.410
MIC-UNK-d854bf4c-8
0.410
VLA-UNK-c65c1026-1
0.408
EDJ-MED-7587a9ee-4
0.407
VLA-UCB-1dbca3b4-12
0.406
JAG-UCB-f37eaa14-9
0.406
EDJ-MED-3707c4bc-1
0.405
DAR-DIA-6be260fc-6
0.404
ALP-POS-e0fe77e5-4
0.404
ALP-UNI-58319883-1
0.404
PET-UNK-e8933450-1
0.402
MIC-UNK-9582b2c5-3
0.402
EDJ-MED-28b38b9b-1
0.402
EDJ-MED-28b38b9b-3
0.400
DAR-DIA-6be260fc-4
0.400