Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)CC(C2CO2)N1c1cncc2ccccc12 |
MW: | 364.1 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 45.73 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CH2_S#O_3_ring
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Three_Membered_Heterocycle
MIC-UNK-0a05c952-3
0.772
MIC-UNK-0a05c952-2
0.726
PET-UNK-5ddd54c7-2
0.632
PET-UNK-3e354a91-1
0.578
MIC-UNK-0a05c952-4
0.571
VLA-UCB-1dbca3b4-6
0.545
PET-UNK-7b413b46-6
0.528
PET-UNK-7b413b46-2
0.528
PET-UNK-c9c1e0d8-4
0.522
EDG-MED-5d232de5-7
0.522
EDG-MED-5d232de5-8
0.522
GIA-UNK-80c9bc96-1
0.522
VLA-UCB-1dbca3b4-18
0.522
PET-UNK-abc197b8-1
0.522
PET-UNK-5ddd54c7-1
0.521
PET-UNK-c9c1e0d8-3
0.511
PET-UNK-7a31b064-1
0.511
PET-UNK-689df078-1
0.505
VLA-UCB-1dbca3b4-10
0.505
PET-UNK-7b413b46-1
0.505
PET-UNK-7b413b46-5
0.505
PET-UNK-7b413b46-8
0.495
PET-UNK-7b413b46-4
0.495
PET-UNK-194f9da3-2
0.490
PET-UNK-7b413b46-3
0.490
PET-UNK-7b413b46-7
0.490
VLA-UNK-db5e3064-1
0.484
PET-UNK-689df078-2
0.484
PET-UNK-194f9da3-1
0.480
PET-UNK-7a31b064-2
0.480
PET-UNK-689df078-4
0.479
DAR-DIA-f6ee7aeb-1
0.472
ALP-UNI-58319883-2
0.469
PET-UNK-431b3bfb-1
0.469
PET-UNK-4dc48bbe-6
0.462
VLA-UCB-1dbca3b4-17
0.462
VLA-UNK-db5e3064-2
0.462
PET-UNK-689df078-3
0.453
MAT-POS-24589f88-14
0.448
BEN-DND-d1eb1f41-7
0.448
MIC-UNK-d854bf4c-3
0.407
MIC-UNK-d854bf4c-1
0.407
PET-UNK-e8933450-1
0.404
MIC-UNK-d854bf4c-5
0.404
MIC-UNK-d854bf4c-7
0.404
VLA-UCB-1dbca3b4-3
0.400
MIC-UNK-9582b2c5-1
0.400
DAR-DIA-0f7b7cd9-7
0.400
MAT-POS-d8472c4f-1
0.398
MAT-POS-8695a11f-1
0.398
MAT-POS-8695a11f-3
0.398
VLA-UCB-1dbca3b4-12
0.394
PET-UNK-7be94445-2
0.394
DAR-DIA-f6ee7aeb-6
0.393
EDJ-MED-96f6b92c-1
0.392
DAR-DIA-b80f1cd7-1
0.390
DAR-DIA-5d6f1b43-1
0.388
ALP-UNI-dbb9503d-1
0.386
PET-UNK-7be94445-1
0.385
ALP-UNI-dbb9503d-2
0.385
ALP-UNI-3735e77e-1
0.384
DAR-DIA-0f7b7cd9-4
0.384
ALP-POS-e0fe77e5-1
0.384
DAR-DIA-b80f1cd7-13
0.376
DAR-DIA-b80f1cd7-14
0.373
BEN-DND-d1eb1f41-15
0.373
DAR-DIA-0f7b7cd9-6
0.371
VLA-UCB-1dbca3b4-13
0.370
DAR-DIA-0f7b7cd9-5
0.370
PET-UNK-94460c07-1
0.370
DAR-DIA-5d6f1b43-10
0.368
MAT-POS-1f3f1a6f-5
0.367
MIC-UNK-9582b2c5-3
0.366
MIC-UNK-50cce87d-9
0.365
DAR-DIA-5d6f1b43-5
0.364
DAR-DIA-b80f1cd7-7
0.363
MIC-UNK-50cce87d-5
0.363
MIC-UNK-50cce87d-10
0.363
DAR-DIA-b80f1cd7-2
0.362
PET-UNK-4dc48bbe-8
0.361
DAR-DIA-b80f1cd7-11
0.360
ALP-POS-ce760d3f-8
0.360
MIC-UNK-50cce87d-6
0.360
PET-UNK-4dc48bbe-4
0.360
DAR-DIA-b80f1cd7-8
0.360
DAR-DIA-5d6f1b43-3
0.356
DAR-DIA-b80f1cd7-4
0.354
DAR-DIA-b80f1cd7-3
0.354
DAR-DIA-5d6f1b43-8
0.353
MIC-UNK-50cce87d-8
0.352
MIC-UNK-50cce87d-12
0.352
MIC-UNK-9582b2c5-2
0.351
DAR-DIA-b80f1cd7-5
0.351
DAR-DIA-b80f1cd7-6
0.351
DAR-DIA-5d6f1b43-4
0.350
DAR-DIA-5d6f1b43-11
0.350
DAR-DIA-5d6f1b43-12
0.349
MIC-UNK-50cce87d-11
0.349
PET-UNK-94460c07-2
0.349
DAR-DIA-6be260fc-3
0.349