Molecular Properties | |
SMILES: | CC(CO)(NC1CC1)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 409.16 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 74.25 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-bb423b95-8
0.588
ADA-UCB-6c2cb422-1
0.535
MAT-POS-bb423b95-1
0.529
MAK-UNK-ffc90da7-8
0.505
MAK-UNK-ffc90da7-3
0.505
MAK-UNK-ffc90da7-9
0.505
MAT-POS-f7918075-5
0.484
PET-UNK-8df914d1-1
0.479
EDJ-MED-00c1612e-1
0.479
MIC-UNK-08cd9c58-1
0.462
MAT-POS-f7918075-3
0.462
EDJ-MED-a364e151-3
0.457
TRY-UNI-714a760b-3
0.449
MAT-POS-bb423b95-9
0.446
PET-UNK-8df914d1-3
0.443
MIC-UNK-50cce87d-4
0.442
MIC-UNK-50cce87d-3
0.436
MIC-UNK-50cce87d-2
0.430
JAN-GHE-5a013bed-10
0.425
MAK-UNK-ffc90da7-6
0.422
MIC-UNK-50cce87d-1
0.421
MAT-POS-199e2e7c-1
0.421
MAT-POS-bb423b95-2
0.421
JOH-UNI-ee5ed7c8-3
0.418
JOH-UNI-3fc3434e-3
0.418
EDJ-MED-a364e151-1
0.417
EDJ-MED-a364e151-2
0.417
ALP-POS-95b75b4d-6
0.416
MAT-POS-bb423b95-4
0.415
RAL-THA-2d450e86-13
0.415
ALP-POS-95b75b4d-5
0.415
MAT-POS-f7918075-7
0.412
TRY-UNI-714a760b-6
0.411
MAT-POS-bb423b95-5
0.409
MIC-UNK-d935700b-1
0.409
ABI-SAT-4d06482b-2
0.407
JOH-UNI-6fede743-1
0.406
ALP-POS-95b75b4d-8
0.404
SAM-UNK-2684b532-13
0.404
ALP-POS-95b75b4d-7
0.404
ANN-UNI-98d2bf15-3
0.402
JOH-UNI-abfda500-5
0.402
MAT-POS-f7918075-8
0.402
RAL-THA-2d450e86-31
0.402
RAL-THA-2d450e86-15
0.402
MAT-POS-14ad9fe9-1
0.400
DAR-DIA-0cde14eb-46
0.400
EDG-MED-0da5ad92-12
0.400
JOH-UNI-3fc3434e-1
0.396
JOH-UNI-ee5ed7c8-1
0.396
SAM-UNK-2684b532-11
0.394
SAM-UNK-2684b532-12
0.394
ALP-POS-f13221e1-3
0.392
MIC-UNK-d935700b-2
0.392
RAL-THA-2d450e86-10
0.389
EDG-MED-0da5ad92-21
0.389
EDG-MED-0da5ad92-16
0.389
RAL-THA-2d450e86-8
0.388
RAL-THA-2d450e86-11
0.388
EDG-MED-0da5ad92-17
0.387
JOH-UNI-abfda500-4
0.387
EDJ-MED-976da9a6-2
0.386
DAR-DIA-0cde14eb-48
0.386
PET-UNK-c9c1e0d8-1
0.385
EDG-MED-0da5ad92-14
0.385
MIC-UNK-08fa0751-2
0.385
JOH-UNI-3fc3434e-2
0.383
JOH-UNI-ee5ed7c8-2
0.383
MAK-UNK-6ca90168-23
0.383
MAT-POS-fce787c2-2
0.383
RAL-THA-2d450e86-30
0.383
DAR-DIA-0cde14eb-47
0.382
DAR-DIA-0cde14eb-49
0.382
ALP-POS-0c2c77e1-1
0.381
MAT-POS-bb423b95-3
0.381
EDJ-MED-50fe53e8-2
0.381
MAT-POS-f7918075-6
0.381
ALF-EVA-0b412456-3
0.381
ALF-EVA-0b412456-4
0.381
PET-UNK-c5865d42-1
0.377
ALF-EVA-0b412456-6
0.377
ALP-POS-fab80cf2-1
0.375
MAT-POS-23a8a11a-1
0.375
MAT-POS-f7918075-4
0.374
RAL-THA-2d450e86-9
0.374
RAL-THA-2d450e86-12
0.374
RAL-THA-2d450e86-6
0.374
MIC-UNK-8971c93c-1
0.374
EDJ-MED-976da9a6-1
0.373
MAT-POS-281d2ee9-1
0.371
EDJ-MED-c8e7a002-12
0.371
EDJ-MED-50011917-1
0.370
PET-UNK-c9c1e0d8-2
0.370
PET-UNK-bb7ffe78-1
0.370
PET-UNK-c5865d42-2
0.369
RAL-THA-1d44ff04-10
0.369
PET-UNK-8df914d1-5
0.365
MIC-UNK-644c43c7-4
0.364
RAL-THA-2d450e86-27
0.364
RAL-THA-2d450e86-18
0.363