Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)CCC(C2CO2)N1c1cncc2ccccc12 |
MW: | 378.11 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 45.73 |
cLogP: | 4.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CH2_S#O_3_ring
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Three_Membered_Heterocycle
MIC-UNK-0a05c952-4
0.756
MIC-UNK-0a05c952-1
0.726
PET-UNK-3e354a91-1
0.644
PET-UNK-5ddd54c7-2
0.571
EDG-MED-5d232de5-8
0.568
EDG-MED-5d232de5-7
0.568
PET-UNK-c9c1e0d8-4
0.568
GIA-UNK-80c9bc96-1
0.568
MIC-UNK-0a05c952-3
0.567
PET-UNK-7b413b46-3
0.565
PET-UNK-7b413b46-7
0.565
PET-UNK-c9c1e0d8-3
0.556
PET-UNK-689df078-1
0.549
PET-UNK-7b413b46-5
0.549
PET-UNK-7b413b46-1
0.549
VLA-UCB-1dbca3b4-10
0.549
VLA-UCB-1dbca3b4-6
0.539
PET-UNK-7b413b46-2
0.522
PET-UNK-7b413b46-6
0.522
PET-UNK-7b413b46-4
0.521
PET-UNK-7b413b46-8
0.521
PET-UNK-abc197b8-1
0.516
VLA-UCB-1dbca3b4-18
0.516
PET-UNK-5ddd54c7-1
0.515
PET-UNK-7a31b064-1
0.505
PET-UNK-7a31b064-2
0.505
PET-UNK-194f9da3-2
0.485
PET-UNK-689df078-2
0.479
VLA-UNK-db5e3064-1
0.479
PET-UNK-194f9da3-1
0.475
PET-UNK-4dc48bbe-6
0.473
VLA-UCB-1dbca3b4-17
0.473
PET-UNK-431b3bfb-1
0.464
ALP-UNI-58319883-2
0.464
PET-UNK-689df078-4
0.458
VLA-UNK-db5e3064-2
0.457
PET-UNK-689df078-3
0.448
MAT-POS-24589f88-14
0.443
BEN-DND-d1eb1f41-7
0.443
VLA-UCB-1dbca3b4-12
0.430
DAR-DIA-f6ee7aeb-1
0.427
MIC-UNK-d854bf4c-5
0.426
MIC-UNK-d854bf4c-7
0.426
MIC-UNK-d854bf4c-1
0.417
MIC-UNK-d854bf4c-3
0.417
MIC-UNK-9582b2c5-1
0.409
DAR-DIA-0f7b7cd9-4
0.408
MIC-UNK-50cce87d-9
0.402
DAR-DIA-f6ee7aeb-6
0.402
MIC-UNK-50cce87d-5
0.400
MIC-UNK-50cce87d-10
0.400
MIC-UNK-50cce87d-6
0.398
BEN-DND-d1eb1f41-15
0.396
VLA-UCB-1dbca3b4-3
0.396
MAT-POS-8695a11f-3
0.394
ALP-POS-e0fe77e5-1
0.394
ALP-UNI-3735e77e-1
0.394
MAT-POS-8695a11f-1
0.394
MAT-POS-d8472c4f-1
0.394
PET-UNK-7be94445-2
0.389
EDJ-MED-96f6b92c-1
0.388
MIC-UNK-50cce87d-8
0.388
MIC-UNK-9582b2c5-3
0.387
MIC-UNK-50cce87d-12
0.387
PET-UNK-e8933450-1
0.386
DAR-DIA-b80f1cd7-1
0.386
MIC-UNK-50cce87d-11
0.385
DAR-DIA-5d6f1b43-1
0.384
ALP-POS-ce760d3f-8
0.384
ALP-UNI-dbb9503d-1
0.382
MIC-UNK-50cce87d-7
0.382
DAR-DIA-0f7b7cd9-7
0.381
PET-UNK-7be94445-1
0.381
ALP-UNI-dbb9503d-2
0.381
DAR-DIA-5d6f1b43-3
0.380
DAR-DIA-0f7b7cd9-5
0.380
DAR-DIA-5d6f1b43-5
0.374
DAR-DIA-b80f1cd7-13
0.373
DAR-DIA-b80f1cd7-2
0.371
PET-UNK-4dc48bbe-8
0.371
DAR-DIA-b80f1cd7-14
0.369
DAR-DIA-b80f1cd7-11
0.369
DAR-DIA-0f7b7cd9-6
0.367
PET-UNK-94460c07-1
0.366
VLA-UCB-1dbca3b4-13
0.366
DAR-DIA-5d6f1b43-10
0.364
MAT-POS-1f3f1a6f-5
0.364
DAR-DIA-b80f1cd7-3
0.363
DAR-DIA-b80f1cd7-4
0.363
ALP-POS-df536be7-4
0.363
DAR-DIA-5d6f1b43-8
0.363
DAR-DIA-b80f1cd7-5
0.360
DAR-DIA-b80f1cd7-7
0.360
DAR-DIA-b80f1cd7-6
0.360
DAR-DIA-5d6f1b43-4
0.359
DAR-DIA-5d6f1b43-11
0.359
DAR-DIA-b80f1cd7-8
0.357
PET-UNK-4dc48bbe-4
0.356
DAR-DIA-b80f1cd7-9
0.354
DAR-DIA-b80f1cd7-12
0.354