Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1 |
MW: | 270.15 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-64
0.731
DAR-DIA-0cde14eb-62
0.721
DAR-DIA-0cde14eb-63
0.721
DAR-DIA-0cde14eb-74
0.690
DAR-DIA-0cde14eb-70
0.560
DAR-DIA-0cde14eb-65
0.541
JAN-GHE-83b26c96-11
0.537
TRY-UNI-714a760b-5
0.515
MIH-UNI-6b9ca91a-1
0.514
DAR-DIA-0cde14eb-1
0.506
EDJ-MED-e58735b6-2
0.493
RAL-THA-6b94ceba-14
0.487
MAT-POS-590ac91e-6
0.486
RAL-THA-6b94ceba-13
0.481
DAR-DIA-0cde14eb-2
0.481
TRY-UNI-2eddb1ff-2
0.479
EDG-MED-0da5ad92-8
0.479
DAR-DIA-0cde14eb-4
0.475
DAR-DIA-0cde14eb-3
0.475
DAR-DIA-0cde14eb-72
0.475
RAL-THA-6b94ceba-6
0.474
TRY-UNI-714a760b-6
0.473
GAB-REV-70cc3ca5-20
0.473
JAN-GHE-83b26c96-13
0.473
ALP-POS-95b75b4d-2
0.473
ALE-HEI-f28a35b5-3
0.472
MAT-POS-f42f3716-5
0.472
ALP-POS-95b75b4d-1
0.467
JAN-GHE-83b26c96-12
0.467
MAT-POS-590ac91e-24
0.466
EDJ-MED-c9f55a56-1
0.466
DAR-DIA-0cde14eb-16
0.465
ALE-HEI-f28a35b5-12
0.464
MAT-POS-590ac91e-11
0.464
MAK-UNK-6ca90168-26
0.462
MAT-POS-590ac91e-9
0.458
DAR-DIA-0cde14eb-14
0.458
DAR-DIA-0cde14eb-73
0.457
RAL-THA-6b94ceba-5
0.457
EDJ-MED-e58735b6-3
0.456
DAR-DIA-0cde14eb-78
0.456
MAT-POS-c9973a83-1
0.456
EDJ-MED-e58735b6-1
0.455
MAT-POS-e501d84c-1
0.452
DAR-DIA-0cde14eb-71
0.451
WIL-MOD-03b86a88-5
0.451
WIL-MOD-03b86a88-3
0.451
ALP-POS-95b75b4d-4
0.450
ANN-UNI-98d2bf15-5
0.450
MAT-POS-044491d2-6
0.449
TRY-UNI-2eddb1ff-1
0.449
ANN-UNI-98d2bf15-2
0.449
DAR-DIA-0cde14eb-76
0.449
JAN-GHE-83b26c96-14
0.449
ALP-POS-95b75b4d-3
0.449
BEN-DND-93268d01-10
0.446
RAL-THA-6b94ceba-8
0.446
WIL-MOD-03b86a88-6
0.446
DAR-DIA-23e5a6a0-21
0.446
RAL-THA-6b94ceba-7
0.444
DAR-DIA-23e5a6a0-29
0.443
TRY-UNI-714a760b-20
0.443
ASH-SAT-43770c7d-9
0.441
NAU-LAT-0543f7f2-6
0.440
WIL-MOD-03b86a88-2
0.440
ANN-UNI-98d2bf15-1
0.440
MAT-POS-590ac91e-15
0.440
JOH-UNI-abfda500-6
0.440
RAL-THA-6b94ceba-15
0.439
VLA-UCB-00f2c2b3-1
0.439
DAR-DIA-0cde14eb-77
0.439
MAT-POS-590ac91e-7
0.438
DAR-DIA-23e5a6a0-30
0.438
MAT-POS-044491d2-2
0.438
DAR-DIA-0cde14eb-79
0.438
BAR-COM-0f94fc3d-28
0.435
DAR-DIA-0cde14eb-75
0.435
SAD-SAT-7d5528d9-1
0.435
BEN-DND-93268d01-5
0.434
RAL-THA-6b94ceba-16
0.434
RAL-THA-6b94ceba-12
0.434
DAR-DIA-0cde14eb-18
0.433
DAR-DIA-0cde14eb-17
0.433
DAR-DIA-0cde14eb-19
0.433
DAR-DIA-23e5a6a0-23
0.433
MAT-POS-f42f3716-1
0.433
BEN-DND-93268d01-9
0.432
BEN-DND-09b88bf4-5
0.432
BEN-DND-93268d01-11
0.432
MAT-POS-590ac91e-23
0.432
MAT-POS-f42f3716-6
0.432
BRU-LEF-c49414a7-1
0.430
RAL-THA-901e9a10-7
0.430
DAR-DIA-23e5a6a0-24
0.429
MAT-POS-f42f3716-7
0.429
BEN-DND-22e6b372-4
0.429
NAU-LAT-0543f7f2-7
0.429
VLA-UCB-00f2c2b3-2
0.427
ALE-HEI-f28a35b5-10
0.427
MAT-POS-590ac91e-10
0.427