Molecular Properties | |
SMILES: | O=C1CN(c2cncc3ccccc23)C(=O)N1Cc1cccc(Cl)c1 |
MW: | 351.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
DAR-DIA-b80f1cd7-1
0.590
DAR-DIA-0f7b7cd9-7
0.575
DAR-DIA-0f7b7cd9-4
0.548
DAR-DIA-b80f1cd7-2
0.545
PET-UNK-7be94445-2
0.512
PET-UNK-7be94445-1
0.500
DAR-DIA-b80f1cd7-12
0.495
DAR-DIA-b80f1cd7-13
0.490
DAR-DIA-b80f1cd7-7
0.485
DAR-DIA-b80f1cd7-14
0.485
DAR-DIA-b80f1cd7-10
0.485
DAR-DIA-b80f1cd7-11
0.485
VLA-UCB-1dbca3b4-3
0.482
DAR-DIA-b80f1cd7-8
0.480
DAR-DIA-b80f1cd7-9
0.480
DAR-DIA-b80f1cd7-3
0.475
DAR-DIA-b80f1cd7-4
0.475
DAR-DIA-b80f1cd7-6
0.470
DAR-DIA-b80f1cd7-5
0.470
EDG-MED-5d232de5-7
0.461
EDG-MED-5d232de5-8
0.461
MAT-POS-8695a11f-1
0.461
MAT-POS-8695a11f-3
0.461
MAT-POS-d8472c4f-1
0.461
GIA-UNK-80c9bc96-1
0.461
PET-UNK-c9c1e0d8-4
0.461
PET-UNK-c9c1e0d8-3
0.451
MAT-POS-24589f88-14
0.451
BEN-DND-d1eb1f41-7
0.451
DAR-DIA-5d6f1b43-12
0.447
ALP-UNI-dbb9503d-1
0.446
JUL-TUD-06b2044f-112
0.446
VLA-UCB-1dbca3b4-13
0.444
ALP-UNI-58319883-2
0.441
PET-UNK-431b3bfb-1
0.441
DAR-DIA-5d6f1b43-10
0.438
EDJ-MED-96f6b92c-1
0.436
DAR-DIA-0f7b7cd9-6
0.432
ALP-UNI-dbb9503d-2
0.427
PET-UNK-689df078-4
0.419
EDJ-MED-159244ea-3
0.418
MAT-POS-983b399a-3
0.418
VLA-UCB-1dbca3b4-6
0.418
BEN-DND-d1eb1f41-8
0.417
DAR-DIA-0f7b7cd9-9
0.414
EDJ-MED-159244ea-1
0.414
ALP-POS-477dc5b7-4
0.414
MAT-POS-983b399a-1
0.414
PET-UNK-689df078-3
0.409
MIC-UNK-d854bf4c-1
0.408
MIC-UNK-d854bf4c-3
0.408
DAR-DIA-0f7b7cd9-10
0.407
PET-UNK-7b413b46-4
0.406
PET-UNK-7b413b46-8
0.406
MAT-POS-bb423b95-7
0.404
PET-UNK-e8933450-1
0.404
MIC-UNK-d854bf4c-5
0.404
MIC-UNK-d854bf4c-7
0.404
MIC-UNK-9582b2c5-3
0.404
DAR-DIA-6a49afbe-1
0.402
ALP-POS-76eab5ce-2
0.402
PET-UNK-7b413b46-6
0.402
VLA-UNK-db5e3064-2
0.402
DAR-DIA-5d6f1b43-1
0.402
VLA-UCB-1dbca3b4-17
0.402
PET-UNK-4dc48bbe-6
0.402
PET-UNK-7b413b46-2
0.402
PET-UNK-7b413b46-3
0.402
PET-UNK-7b413b46-7
0.402
PET-UNK-7b413b46-5
0.400
VLA-UCB-1dbca3b4-10
0.400
VLA-UCB-1dbca3b4-18
0.400
MIC-UNK-9582b2c5-1
0.400
PET-UNK-689df078-1
0.400
PET-UNK-7b413b46-1
0.400
PET-UNK-abc197b8-1
0.400
MAT-UCL-e2ab2224-1
0.398
BEN-DND-d1eb1f41-9
0.398
PET-UNK-94460c07-1
0.398
PET-UNK-689df078-2
0.396
VLA-UNK-db5e3064-1
0.396
PET-UNK-7a31b064-2
0.394
JAG-UCB-f37eaa14-3
0.394
DAR-DIA-5d6f1b43-8
0.394
DAR-DIA-f6ee7aeb-1
0.393
DAR-DIA-f6ee7aeb-6
0.393
PET-UNK-7a31b064-1
0.392
PET-UNK-3e354a91-1
0.392
DAR-DIA-5d6f1b43-5
0.391
ADA-UCB-6c2cb422-1
0.391
LUO-POS-e1dab717-19
0.390
DAR-DIA-0f7b7cd9-2
0.389
MAT-POS-a9372f04-1
0.388
PET-UNK-94460c07-2
0.388
ALP-POS-ce760d3f-8
0.387
PET-UNK-4dc48bbe-4
0.387
LUO-POS-f7b1afe6-3
0.387
DAR-DIA-0f7b7cd9-3
0.386
ALP-POS-41e2080f-1
0.386
YVE-CNR-132fc2df-1
0.386