Molecular Properties | |
SMILES: | O=C1CN(c2cncc3ccccc23)C(=O)N1c1cccc(Cl)c1 |
MW: | 337.06 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UCB-1dbca3b4-3
0.627
PET-UNK-7be94445-2
0.600
PET-UNK-7be94445-1
0.584
DAR-DIA-0f7b7cd9-5
0.575
VLA-UCB-1dbca3b4-13
0.556
DAR-DIA-5d6f1b43-12
0.535
DAR-DIA-0f7b7cd9-6
0.506
DAR-DIA-b80f1cd7-1
0.506
DAR-DIA-5d6f1b43-10
0.506
MAT-POS-d8472c4f-1
0.500
MAT-POS-8695a11f-1
0.500
MAT-POS-8695a11f-3
0.500
GIA-UNK-80c9bc96-1
0.482
PET-UNK-c9c1e0d8-4
0.482
EDG-MED-5d232de5-8
0.482
EDG-MED-5d232de5-7
0.482
EDJ-MED-96f6b92c-1
0.472
PET-UNK-c9c1e0d8-3
0.471
MAT-POS-24589f88-14
0.471
PET-UNK-689df078-4
0.471
BEN-DND-d1eb1f41-7
0.471
ALP-UNI-dbb9503d-1
0.466
MIC-UNK-9582b2c5-3
0.464
PET-UNK-431b3bfb-1
0.461
ALP-UNI-58319883-2
0.461
PET-UNK-689df078-3
0.460
DAR-DIA-0f7b7cd9-10
0.459
PET-UNK-4dc48bbe-4
0.453
VLA-UCB-1dbca3b4-6
0.453
ALP-UNI-dbb9503d-2
0.446
VLA-UNK-db5e3064-2
0.437
VLA-UCB-1dbca3b4-17
0.437
PET-UNK-7b413b46-2
0.437
PET-UNK-7b413b46-6
0.437
PET-UNK-4dc48bbe-6
0.437
DAR-DIA-b80f1cd7-2
0.435
JUL-TUD-06b2044f-112
0.433
VLA-UCB-1dbca3b4-10
0.433
VLA-UCB-1dbca3b4-18
0.433
PET-UNK-abc197b8-1
0.433
PET-UNK-689df078-1
0.433
PET-UNK-b870596d-1
0.430
VLA-UNK-db5e3064-1
0.429
PET-UNK-689df078-2
0.429
PET-UNK-7a31b064-1
0.424
PET-UNK-e8933450-1
0.422
DAR-DIA-f6ee7aeb-6
0.422
DAR-DIA-5d6f1b43-1
0.420
BEN-DND-d1eb1f41-8
0.419
MAT-POS-a9372f04-1
0.419
PET-UNK-7b413b46-1
0.418
PET-UNK-7b413b46-5
0.418
ERI-UCB-d6de1f3c-2
0.418
ALP-POS-41e2080f-1
0.417
EDJ-MED-94fddcec-4
0.417
DAR-DIA-6be260fc-3
0.417
EDJ-MED-d4864bdc-3
0.417
MIC-UNK-9582b2c5-1
0.416
PET-UNK-94460c07-1
0.416
DAR-DIA-0f7b7cd9-4
0.416
DAR-DIA-b80f1cd7-11
0.414
MAT-UCL-e2ab2224-1
0.414
DAR-DIA-5d6f1b43-8
0.411
JAG-UCB-f37eaa14-3
0.411
PET-UNK-7a31b064-2
0.411
MIC-UNK-d854bf4c-3
0.410
MIC-UNK-d854bf4c-1
0.410
DAR-DIA-5d6f1b43-5
0.409
MAT-POS-50a80394-4
0.408
DAR-DIA-f6ee7aeb-1
0.408
EDJ-MED-159244ea-3
0.406
MAT-POS-983b399a-3
0.406
DAR-DIA-6be260fc-1
0.406
JAG-UCB-f37eaa14-2
0.406
MIC-UNK-d854bf4c-7
0.406
MIC-UNK-d854bf4c-5
0.406
PET-UNK-b870596d-2
0.404
ALP-POS-ce760d3f-8
0.404
DAR-DIA-b80f1cd7-13
0.404
BEN-DND-d1eb1f41-15
0.402
EDJ-MED-159244ea-1
0.402
MAT-POS-983b399a-1
0.402
ALP-POS-477dc5b7-4
0.402
DAR-DIA-0f7b7cd9-9
0.402
DAR-DIA-b80f1cd7-7
0.402
DAR-DIA-b80f1cd7-10
0.400
DAR-DIA-b80f1cd7-14
0.400
MIC-UNK-0a05c952-1
0.400
EDJ-MED-7587a9ee-3
0.400
DAR-DIA-5d6f1b43-3
0.400
ALP-POS-e0fe77e5-1
0.400
ALP-UNI-3735e77e-1
0.400
BEN-DND-d1eb1f41-9
0.400
DAR-DIA-b80f1cd7-8
0.398
VLA-UNK-c65c1026-1
0.398
DAR-DIA-6be260fc-5
0.398
DAR-DIA-b80f1cd7-9
0.396
DAR-DIA-b80f1cd7-12
0.396
DAR-DIA-6be260fc-6
0.394
PET-UNK-3e354a91-1
0.394