Molecular Properties | |
SMILES: | O=C1OC(c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 338.05 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 59.5 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-689df078-2
0.642
VLA-UNK-db5e3064-1
0.642
PET-UNK-4dc48bbe-6
0.580
VLA-UCB-1dbca3b4-17
0.580
PET-UNK-431b3bfb-1
0.565
ALP-UNI-58319883-2
0.565
VLA-UCB-1dbca3b4-6
0.561
PET-UNK-689df078-3
0.548
PET-UNK-689df078-4
0.541
PET-UNK-689df078-1
0.535
PET-UNK-abc197b8-1
0.535
VLA-UCB-1dbca3b4-10
0.535
VLA-UCB-1dbca3b4-18
0.535
PET-UNK-7a31b064-1
0.523
PET-UNK-7a31b064-2
0.522
PET-UNK-5ddd54c7-1
0.516
EDG-MED-5d232de5-8
0.500
EDG-MED-5d232de5-7
0.500
PET-UNK-c9c1e0d8-4
0.500
GIA-UNK-80c9bc96-1
0.500
PET-UNK-7b413b46-4
0.489
PET-UNK-7b413b46-8
0.489
MAT-POS-24589f88-14
0.489
BEN-DND-d1eb1f41-7
0.489
PET-UNK-c9c1e0d8-3
0.489
PET-UNK-7b413b46-2
0.488
PET-UNK-7b413b46-6
0.488
VLA-UCB-1dbca3b4-12
0.485
PET-UNK-4dc48bbe-8
0.476
VLA-UCB-1dbca3b4-3
0.471
PET-UNK-7b413b46-3
0.467
PET-UNK-7b413b46-7
0.467
PET-UNK-7b413b46-5
0.467
PET-UNK-7b413b46-1
0.467
MIC-UNK-0a05c952-1
0.462
MIC-UNK-0a05c952-2
0.457
PET-UNK-3e354a91-1
0.457
PET-UNK-5ddd54c7-2
0.457
VLA-UCB-1dbca3b4-13
0.449
MAT-POS-1f3f1a6f-5
0.448
PET-UNK-194f9da3-1
0.442
DAR-DIA-b80f1cd7-1
0.440
PET-UNK-194f9da3-2
0.438
DAR-DIA-0f7b7cd9-7
0.437
PET-UNK-7be94445-2
0.430
DAR-DIA-b80f1cd7-14
0.430
MIC-UNK-d854bf4c-1
0.426
MIC-UNK-d854bf4c-3
0.426
VLA-UNK-70dd90ef-2
0.426
DAR-DIA-f6ee7aeb-1
0.423
MIC-UNK-d854bf4c-5
0.422
MIC-UNK-d854bf4c-7
0.422
DAR-DIA-b80f1cd7-2
0.421
PET-UNK-7be94445-1
0.420
DAR-DIA-b80f1cd7-13
0.420
MAT-POS-8695a11f-1
0.418
MAT-POS-d8472c4f-1
0.418
MAT-POS-8695a11f-3
0.418
DAR-DIA-b80f1cd7-7
0.417
MIC-UNK-9582b2c5-1
0.417
DAR-DIA-b80f1cd7-11
0.416
DAR-DIA-b80f1cd7-8
0.413
DAR-DIA-b80f1cd7-9
0.412
DAR-DIA-b80f1cd7-12
0.412
DAR-DIA-f6ee7aeb-6
0.410
VLA-UCB-34f3ed0c-11
0.408
VLA-UCB-29506327-1
0.408
VLA-UNK-cf7facf1-1
0.408
DAR-DIA-b80f1cd7-3
0.408
DAR-DIA-0f7b7cd9-6
0.404
ALP-UNI-dbb9503d-1
0.404
MAT-POS-ec6d90b7-2
0.404
MAT-POS-90505e2b-1
0.404
MAT-POS-ec6d90b7-1
0.404
DAR-DIA-b80f1cd7-6
0.404
DAR-DIA-5d6f1b43-3
0.402
DAR-DIA-0f7b7cd9-4
0.402
DAR-DIA-0f7b7cd9-5
0.402
VLA-UNK-83c3754c-1
0.402
VLA-UNK-c65c1026-4
0.402
VLA-UNK-70dd90ef-4
0.402
DAR-DIA-b80f1cd7-10
0.402
VLA-UNK-c65c1026-6
0.400
EDJ-MED-96f6b92c-1
0.396
DAR-DIA-5d6f1b43-5
0.396
DAR-DIA-b80f1cd7-4
0.394
VLA-UNK-83c3754c-2
0.394
DAR-DIA-5d6f1b43-4
0.394
PET-UNK-94460c07-2
0.392
DAR-DIA-5d6f1b43-1
0.391
ALP-POS-ce760d3f-8
0.391
PET-UNK-4dc48bbe-4
0.391
DAR-DIA-b80f1cd7-5
0.390
JOH-MSK-1f2dff76-4
0.390
JOH-MSK-1f2dff76-3
0.390
JOH-MSK-51c67e7d-1
0.390
JOH-MSK-51c67e7d-2
0.390
MIC-UNK-eb20c3e1-1
0.389
VLA-UCB-34f3ed0c-12
0.388
ALP-UNI-dbb9503d-2
0.388