Molecular Properties | |
SMILES: | CC(=O)N1CCC2C(C1)CN(c1cncc3ccccc13)C(=O)C2c1cccc(Cl)c1 |
MW: | 433.16 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-d854bf4c-3
0.543
MIC-UNK-9582b2c5-3
0.538
MIC-UNK-d854bf4c-1
0.528
MAT-POS-24589f88-14
0.505
PET-UNK-c9c1e0d8-3
0.505
BEN-DND-d1eb1f41-7
0.505
PET-UNK-c9c1e0d8-4
0.500
GIA-UNK-80c9bc96-1
0.500
EDG-MED-5d232de5-8
0.500
EDG-MED-5d232de5-7
0.500
PET-UNK-431b3bfb-1
0.495
ALP-UNI-58319883-2
0.495
MIC-UNK-d854bf4c-7
0.468
PET-UNK-7b413b46-5
0.456
PET-UNK-7b413b46-1
0.456
MIC-UNK-d854bf4c-5
0.455
PET-UNK-689df078-4
0.447
VLA-UCB-1dbca3b4-17
0.446
PET-UNK-4dc48bbe-6
0.446
DAR-DIA-f6ee7aeb-1
0.443
ALP-UNI-dbb9503d-1
0.442
MIC-UNK-d854bf4c-4
0.441
MAT-POS-d8472c4f-1
0.441
MAT-POS-8695a11f-1
0.441
MAT-POS-8695a11f-3
0.441
PET-UNK-7be94445-2
0.439
PET-UNK-689df078-2
0.438
VLA-UNK-db5e3064-1
0.438
PET-UNK-689df078-3
0.437
EDJ-MED-96f6b92c-1
0.434
VLA-UCB-1dbca3b4-6
0.431
PET-UNK-7b413b46-6
0.431
PET-UNK-7b413b46-2
0.431
PET-UNK-194f9da3-2
0.431
PET-UNK-7be94445-1
0.430
MIC-UNK-d854bf4c-2
0.429
PET-UNK-689df078-1
0.429
VLA-UCB-1dbca3b4-10
0.429
VLA-UCB-1dbca3b4-18
0.429
PET-UNK-abc197b8-1
0.429
ALP-UNI-dbb9503d-2
0.426
PET-UNK-7a31b064-2
0.422
PET-UNK-7a31b064-1
0.421
PET-UNK-3e354a91-1
0.421
PET-UNK-5ddd54c7-1
0.418
VLA-UNK-db5e3064-2
0.417
PET-UNK-7b413b46-7
0.417
PET-UNK-7b413b46-3
0.417
DAR-DIA-0f7b7cd9-7
0.416
MIC-UNK-9582b2c5-2
0.414
MIC-UNK-0a05c952-2
0.409
PET-UNK-194f9da3-1
0.409
PET-UNK-7b413b46-4
0.407
PET-UNK-5ddd54c7-2
0.407
PET-UNK-7b413b46-8
0.407
DAR-DIA-f6ee7aeb-6
0.407
ALP-POS-ce760d3f-8
0.404
MIC-UNK-cdc2493e-18
0.402
DAR-DIA-6be260fc-3
0.402
DAR-DIA-0f7b7cd9-5
0.400
MIC-UNK-0a05c952-1
0.400
ALP-POS-e0fe77e5-1
0.400
ALP-UNI-3735e77e-1
0.400
LUO-POS-868e8996-12
0.398
EDJ-MED-8bb691af-4
0.398
LUO-POS-868e8996-11
0.398
MAT-POS-c7726e07-5
0.398
MAT-POS-c7726e07-6
0.398
VLA-UCB-1dbca3b4-12
0.397
MAT-POS-50a80394-4
0.395
MAT-POS-b3212acf-2
0.394
MIC-UNK-257d841f-1
0.394
EDJ-MED-6b23330e-6
0.392
ALP-POS-133e7cd9-1
0.392
BRU-THA-ae0174a8-1
0.390
ALP-POS-ecbed2ba-12
0.390
MAT-POS-566864e2-1
0.390
MAT-POS-566864e2-2
0.390
BEN-DND-d1eb1f41-15
0.389
MAT-POS-e75f6e44-4
0.387
MAT-POS-e75f6e44-3
0.387
EDJ-MED-6b23330e-5
0.387
VLA-UNK-5d8210f0-4
0.385
DAR-DIA-5d6f1b43-10
0.384
EDJ-MED-28b38b9b-2
0.383
MAT-POS-50a80394-5
0.383
MAT-POS-e75f6e44-8
0.383
MAT-POS-e75f6e44-16
0.383
MAT-POS-e75f6e44-9
0.383
MAT-POS-69786b79-3
0.382
MAT-POS-e75f6e44-13
0.381
MAT-POS-e75f6e44-19
0.381
JAG-UCB-f37eaa14-2
0.381
DAR-DIA-6be260fc-1
0.381
DAR-DIA-6be260fc-4
0.379
ALP-POS-ecbed2ba-14
0.379
MAT-POS-69786b79-2
0.379
LUO-POS-e1dab717-13
0.379
MAT-POS-e75f6e44-1
0.379
VLA-UNK-5d8210f0-5
0.379