Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(C#N)CC2)c1 |
MW: | 374.21 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.02 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-16
0.753
DAR-DIA-0cde14eb-18
0.726
DAR-DIA-0cde14eb-17
0.726
DAR-DIA-0cde14eb-19
0.726
DAR-DIA-0cde14eb-24
0.644
DAR-DIA-0cde14eb-30
0.613
DAR-DIA-0cde14eb-14
0.557
DAR-DIA-0cde14eb-25
0.495
DAR-DIA-0cde14eb-20
0.495
DAR-DIA-0cde14eb-22
0.469
DAR-DIA-0cde14eb-23
0.465
DAR-DIA-0cde14eb-21
0.465
DAR-DIA-0cde14eb-74
0.462
DAR-DIA-0cde14eb-27
0.460
DAR-DIA-0cde14eb-28
0.460
MAT-POS-044491d2-5
0.456
DAR-DIA-0cde14eb-26
0.455
DAR-DIA-0cde14eb-1
0.451
DAR-DIA-0cde14eb-2
0.446
MAT-POS-590ac91e-15
0.442
DAR-DIA-0cde14eb-4
0.441
DAR-DIA-0cde14eb-3
0.441
DAR-DIA-23e5a6a0-30
0.440
MAT-POS-c9973a83-1
0.440
MAT-POS-e501d84c-1
0.438
BEN-DND-93268d01-11
0.435
TRY-UNI-2eddb1ff-1
0.433
RAL-THA-6b94ceba-8
0.432
DAR-DIA-23e5a6a0-24
0.431
DAR-DIA-0cde14eb-62
0.430
RAL-THA-6b94ceba-7
0.430
RAL-THA-6b94ceba-13
0.430
TRY-UNI-714a760b-20
0.429
MAT-POS-f42f3716-5
0.427
WIL-MOD-03b86a88-2
0.427
RAL-THA-6b94ceba-5
0.426
TRY-UNI-2eddb1ff-2
0.425
EDG-MED-0da5ad92-8
0.425
MAT-POS-044491d2-7
0.424
RAL-THA-6b94ceba-6
0.424
DAR-DIA-23e5a6a0-23
0.422
MAT-POS-044491d2-6
0.422
EDJ-MED-e58735b6-2
0.420
TRY-UNI-714a760b-6
0.420
ALP-POS-95b75b4d-4
0.419
DAR-DIA-0cde14eb-61
0.419
DAR-DIA-0cde14eb-64
0.419
DAR-DIA-23e5a6a0-22
0.419
MIH-UNI-6b9ca91a-1
0.419
RAL-THA-901e9a10-3
0.417
TRY-UNI-2eddb1ff-6
0.417
JAN-GHE-83b26c96-11
0.417
TRY-UNI-714a760b-5
0.417
DAR-DIA-23e5a6a0-29
0.416
ALP-POS-95b75b4d-1
0.416
DAR-DIA-0cde14eb-63
0.415
NAU-LAT-0543f7f2-5
0.414
PET-SGC-6016d8e6-1
0.412
MAT-POS-044491d2-2
0.412
DAR-DIA-0cde14eb-9
0.411
RAL-THA-6b94ceba-15
0.411
WIL-MOD-03b86a88-4
0.410
RAL-THA-6b94ceba-11
0.408
DAR-DIA-23e5a6a0-25
0.408
MAT-POS-f42f3716-1
0.408
RAL-THA-6b94ceba-1
0.408
ASH-SAT-43770c7d-9
0.407
MAT-POS-590ac91e-9
0.407
EDJ-MED-e58735b6-1
0.407
WIL-MOD-03b86a88-5
0.406
WIL-MOD-03b86a88-3
0.406
RAL-THA-6b94ceba-12
0.406
RAL-THA-6b94ceba-14
0.406
RAL-THA-6b94ceba-16
0.406
MAT-POS-044491d2-1
0.406
MAT-POS-044491d2-3
0.406
MAT-POS-f42f3716-6
0.406
DAR-DIA-23e5a6a0-21
0.406
JAN-GHE-83b26c96-13
0.404
ALP-POS-95b75b4d-2
0.404
GAB-REV-70cc3ca5-20
0.404
RAL-THA-901e9a10-4
0.404
WIL-MOD-03b86a88-6
0.402
NAU-LAT-0543f7f2-7
0.402
TRY-UNI-2eddb1ff-7
0.402
WIL-MOD-03b86a88-1
0.402
RAL-THA-901e9a10-2
0.402
JAN-GHE-83b26c96-12
0.400
DAR-DIA-23e5a6a0-27
0.400
VLA-UCB-00f2c2b3-2
0.400
DAR-DIA-23e5a6a0-26
0.400
DAR-DIA-23e5a6a0-28
0.398
NAU-LAT-0543f7f2-6
0.398
RAL-THA-6b94ceba-9
0.398
RAL-THA-901e9a10-1
0.396
VLA-UCB-00f2c2b3-1
0.396
MAT-POS-590ac91e-6
0.395
SAD-SAT-7d5528d9-1
0.394
BAR-COM-0f94fc3d-28
0.394
EDJ-MED-e58735b6-3
0.394