Molecular Properties | |
SMILES: | COc1ccc2cncc(NC(=O)C3=CCOc4ccc(Cl)cc43)c2c1 |
MW: | 366.08 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2020-12-02 |
Activated double bonds (2)
vinyl michael acceptor1
ALP-POS-ce760d3f-5
0.729
MAT-POS-f9802937-7
0.557
EDJ-MED-611d11e7-7
0.520
MAT-POS-96f51285-1
0.520
MAT-POS-24589f88-1
0.520
EDJ-MED-611d11e7-9
0.481
MAT-POS-96f51285-3
0.481
PET-UNK-8df914d1-1
0.463
EDJ-MED-00c1612e-1
0.463
PET-UNK-fe31e24a-7
0.454
PET-UNK-fe31e24a-3
0.440
PET-UNK-fe31e24a-1
0.439
ALP-POS-f1807566-2
0.439
PET-UNK-fe31e24a-5
0.435
BEN-DND-c852c98b-6
0.426
BEN-DND-c852c98b-2
0.422
ALF-EVA-82cf4849-12
0.417
EDJ-MED-611d11e7-8
0.417
MAT-POS-ec6d90b7-6
0.417
MAT-POS-96f51285-6
0.417
ALF-EVA-82cf4849-11
0.416
ERI-UCB-b3e6b0c2-7
0.414
MAT-POS-0c8fa4a7-1
0.412
DAR-DIA-5ff57136-7
0.411
RUB-POS-1325a9ea-10
0.407
PET-UNK-19e211a9-9
0.402
PET-UNK-b38839dc-4
0.396
ALF-EVA-5b152d2f-2
0.393
MAK-UNK-8be7dca9-8
0.391
ALF-EVA-82cf4849-4
0.391
EDJ-MED-1b5395f9-1
0.389
EDJ-MED-1b5395f9-2
0.389
EDJ-MED-1b5395f9-3
0.389
ALF-EVA-0b412456-2
0.389
PET-UNK-b38839dc-5
0.387
BEN-DND-c852c98b-4
0.387
ALP-POS-ce760d3f-7
0.387
ALP-POS-696356e4-1
0.387
EDG-MED-5d232de5-1
0.387
EDG-MED-5d232de5-2
0.387
EDJ-MED-ba7e64f2-1
0.387
PET-UNK-ee8352fa-4
0.385
BEN-DND-c852c98b-3
0.385
BEN-DND-c852c98b-5
0.385
ERI-UCB-8d4e5055-4
0.385
ALP-POS-82da25a3-2
0.385
BEN-DND-c852c98b-7
0.382
MAT-POS-a5ef2d74-2
0.382
EDJ-MED-611d11e7-4
0.382
MAT-POS-ec6d90b7-4
0.382
MAT-POS-86c60949-3
0.380
ERI-UCB-8d4e5055-5
0.380
RAL-THA-b9d6aec1-3
0.378
MAK-UNK-8be7dca9-7
0.376
RAL-THA-05e671eb-8
0.376
PET-UNK-f4e47ebd-3
0.375
ALP-POS-93b3621f-3
0.374
EDG-MED-10fcb19e-5
0.373
MAT-POS-8293a91a-3
0.373
RAL-THA-b9d6aec1-2
0.372
PET-UNK-ee8352fa-1
0.372
RAL-THA-b9d6aec1-1
0.372
ALF-EVA-82cf4849-8
0.371
BEN-DND-c852c98b-1
0.369
EDJ-MED-611d11e7-1
0.368
MAT-POS-96f51285-2
0.368
DAR-DIA-5ff57136-8
0.368
EDG-MED-10fcb19e-1
0.368
ALF-EVA-82cf4849-3
0.367
MAT-POS-8695a11f-2
0.367
ERI-UCB-8d4e5055-2
0.367
ALF-EVA-5b152d2f-7
0.366
ALF-EVA-ced740bd-2
0.366
ROB-UNI-6ee2df8c-1
0.364
MAT-POS-b3e365b9-1
0.364
MAT-POS-b3e365b9-2
0.364
MAT-POS-f7918075-1
0.364
VLA-UCB-1dbca3b4-15
0.364
RAL-THA-05e671eb-14
0.364
PET-UNK-f4e47ebd-4
0.363
MAT-POS-419aafdb-1
0.362
ALP-POS-ce760d3f-3
0.361
BEN-DND-4f474d93-2
0.361
PET-UNK-7fb4f80a-2
0.358
MAR-UCB-6ab2ec87-3
0.358
MAK-UNK-8be7dca9-4
0.356
PET-UNK-a7639856-1
0.356
EDG-MED-10fcb19e-3
0.356
MAT-POS-90fd5f68-31
0.355
PET-UNK-c0891748-11
0.354
PET-UNK-c0891748-5
0.354
MAT-POS-419aafdb-2
0.353
ALF-EVA-82cf4849-13
0.353
ALP-POS-ce760d3f-2
0.352
BEN-DND-4f474d93-3
0.352
BEN-DND-4f474d93-1
0.352
ALF-EVA-5b152d2f-3
0.352
MAT-POS-90fd5f68-23
0.352
ERI-UCB-b3e6b0c2-8
0.350
PET-UNK-29afea89-2
0.348