Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CC2CC3(COC3)N2)c1 |
MW: | 371.14 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 63.25 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
DAR-DIA-23e5a6a0-29
0.867
DAR-DIA-23e5a6a0-23
0.844
DAR-DIA-23e5a6a0-21
0.698
DAR-DIA-23e5a6a0-27
0.694
DAR-DIA-23e5a6a0-26
0.636
WIL-MOD-03b86a88-2
0.576
RAL-THA-6b94ceba-12
0.571
MAT-POS-e501d84c-1
0.570
WIL-MOD-03b86a88-4
0.568
DAR-DIA-23e5a6a0-30
0.567
RAL-THA-6b94ceba-15
0.560
RAL-THA-6b94ceba-5
0.560
DAR-DIA-23e5a6a0-24
0.554
RAL-THA-6b94ceba-16
0.553
RAL-THA-6b94ceba-8
0.547
NAU-LAT-0543f7f2-7
0.547
MAT-POS-c9973a83-1
0.542
TRY-UNI-2eddb1ff-7
0.538
WIL-MOD-03b86a88-1
0.538
DAR-DIA-23e5a6a0-28
0.526
RAL-THA-6b94ceba-6
0.524
RAL-THA-6b94ceba-9
0.523
ENA-ENA-cf881d10-1
0.522
DAR-DIA-23e5a6a0-22
0.521
MAT-POS-044491d2-2
0.516
RAL-THA-6b94ceba-7
0.512
RAL-THA-6b94ceba-13
0.512
WIL-MOD-03b86a88-6
0.511
MAT-POS-044491d2-3
0.511
MAT-POS-f42f3716-1
0.511
DAR-DIA-23e5a6a0-18
0.510
NAU-LAT-0543f7f2-6
0.506
MAT-POS-044491d2-4
0.505
RAL-THA-6b94ceba-10
0.505
RAL-THA-6b94ceba-14
0.500
RAL-THA-6b94ceba-11
0.500
WIL-MOD-03b86a88-3
0.500
WIL-MOD-03b86a88-5
0.500
RAL-THA-6b94ceba-1
0.495
MAT-POS-044491d2-1
0.495
EDG-MED-0da5ad92-8
0.494
TRY-UNI-2eddb1ff-2
0.494
CHO-MSK-6e55470f-5
0.490
NAU-LAT-0543f7f2-5
0.489
TRY-UNI-714a760b-6
0.488
MAT-POS-f42f3716-5
0.485
MAT-POS-044491d2-7
0.484
RAL-THA-6b94ceba-4
0.479
MAT-POS-044491d2-6
0.479
RAL-THA-6b94ceba-3
0.479
NAU-LAT-0543f7f2-1
0.479
MAT-POS-f42f3716-6
0.479
RAL-THA-6b94ceba-2
0.474
MAT-POS-500ca5bf-1
0.471
CHO-MSK-6e55470f-1
0.471
CHO-MSK-6e55470f-8
0.471
CHO-MSK-6e55470f-9
0.471
MAT-POS-044491d2-5
0.470
NAU-LAT-0543f7f2-2
0.469
CHO-MSK-6e55470f-2
0.463
MAT-POS-173a45da-2
0.457
MAT-POS-f42f3716-3
0.455
BAR-COM-0f94fc3d-28
0.452
CHO-MSK-6e55470f-7
0.450
MAT-POS-f42f3716-4
0.449
RAL-THA-901e9a10-6
0.448
CHO-MSK-6e55470f-20
0.448
DAR-DIA-23e5a6a0-20
0.448
MAT-POS-f42f3716-8
0.446
MAT-POS-f42f3716-9
0.446
TRY-UNI-2eddb1ff-6
0.444
MAT-POS-f42f3716-2
0.444
MAT-POS-f42f3716-7
0.444
DAR-DIA-0cde14eb-62
0.444
CHO-MSK-6e55470f-18
0.444
CHO-MSK-6e55470f-23
0.444
RAL-THA-901e9a10-3
0.444
CHO-MSK-6e55470f-6
0.443
DAR-DIA-0cde14eb-3
0.440
DAR-DIA-0cde14eb-78
0.438
RAL-THA-901e9a10-1
0.438
CHO-MSK-6e55470f-13
0.437
EDJ-MED-e58735b6-2
0.435
DAR-DIA-23e5a6a0-17
0.435
CHO-MSK-6e55470f-19
0.434
MIH-UNI-6b9ca91a-1
0.434
DAR-DIA-0cde14eb-64
0.433
RAL-THA-901e9a10-5
0.433
JAN-GHE-83b26c96-11
0.432
TRY-UNI-714a760b-5
0.432
ALP-POS-f13221e1-4
0.432
TRY-UNI-2eddb1ff-1
0.432
ALP-POS-95b75b4d-1
0.430
RAL-THA-901e9a10-4
0.430
CHO-MSK-6e55470f-22
0.430
RAL-THA-901e9a10-8
0.429
CHO-MSK-6e55470f-17
0.429
RAL-THA-901e9a10-2
0.429
DAR-DIA-0cde14eb-2
0.429
CHO-MSK-6e55470f-10
0.429