Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc2cc[nH]c12 |
MW: | 299.08 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.78 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-30527ac5-1
0.578
NAU-LAT-0543f7f2-3
0.522
NAU-LAT-30527ac5-5
0.522
VLA-UCB-00f2c2b3-1
0.519
NAU-LAT-0543f7f2-4
0.516
TRY-UNI-2eddb1ff-2
0.507
EDG-MED-0da5ad92-8
0.507
TRY-UNI-714a760b-6
0.500
NAU-LAT-30527ac5-3
0.500
RAL-THA-6b94ceba-9
0.482
NAU-LAT-0543f7f2-8
0.472
RAL-THA-6b94ceba-8
0.471
MAK-UNK-6ca90168-26
0.471
EDG-MED-0da5ad92-7
0.465
WIL-MOD-03b86a88-2
0.465
RAL-THA-6b94ceba-5
0.464
MAT-POS-c9973a83-1
0.463
RAL-THA-6b94ceba-6
0.463
MAT-POS-e501d84c-1
0.460
RAL-THA-6b94ceba-11
0.460
RAL-THA-6b94ceba-12
0.459
EDJ-MED-c9f55a56-1
0.455
NAU-LAT-0543f7f2-7
0.453
RAL-THA-6b94ceba-13
0.452
RAL-THA-6b94ceba-7
0.452
ENA-ENA-cf881d10-1
0.449
RAL-THA-6b94ceba-10
0.449
ANN-UNI-98d2bf15-1
0.449
JOH-UNI-abfda500-6
0.449
MIC-UNK-ea979c74-3
0.448
RAL-THA-6b94ceba-15
0.447
MAK-UNK-f203cb68-4
0.446
JAN-GHE-83b26c96-13
0.443
WIL-MOD-03b86a88-5
0.442
RAL-THA-6b94ceba-14
0.442
RAL-THA-6b94ceba-16
0.442
WIL-MOD-03b86a88-3
0.442
MIH-UNI-6b9ca91a-1
0.442
RAL-THA-6b94ceba-1
0.441
TRY-UNI-714a760b-5
0.440
JAN-GHE-83b26c96-11
0.440
ALP-POS-f13221e1-4
0.439
WIL-MOD-03b86a88-6
0.437
VLA-UCB-00f2c2b3-2
0.435
TRY-UNI-2eddb1ff-7
0.435
WIL-MOD-03b86a88-1
0.435
MAT-POS-044491d2-5
0.433
NAU-LAT-0543f7f2-6
0.432
ASH-SAT-43770c7d-9
0.431
MAT-POS-044491d2-7
0.429
PET-SGC-1c3a473d-1
0.427
RAL-THA-6b94ceba-3
0.426
PET-SGC-175e168c-1
0.425
TRY-UNI-1fd04853-1
0.425
GAB-REV-70cc3ca5-18
0.425
ALP-POS-95b75b4d-2
0.425
EDJ-MED-e58735b6-2
0.425
NAU-LAT-0543f7f2-1
0.424
MAT-POS-044491d2-3
0.424
DAR-DIA-0cde14eb-64
0.424
ALE-HEI-f28a35b5-3
0.423
TRY-UNI-2eddb1ff-1
0.422
ALP-POS-95b75b4d-1
0.420
JAN-GHE-83b26c96-12
0.420
DAR-DIA-23e5a6a0-29
0.419
RAL-THA-901e9a10-8
0.419
GAB-REV-70cc3ca5-9
0.419
NAU-LAT-0543f7f2-5
0.418
MAT-POS-044491d2-4
0.418
TRY-UNI-714a760b-20
0.417
DAR-DIA-23e5a6a0-30
0.415
BAR-COM-0f94fc3d-41
0.414
THO-SYG-cc9e9a11-2
0.414
ALE-HEI-f28a35b5-12
0.413
WIL-MOD-03b86a88-4
0.413
BAR-COM-0f94fc3d-28
0.411
DAR-DIA-23e5a6a0-23
0.411
DAR-DIA-23e5a6a0-25
0.411
RAL-THA-6b94ceba-4
0.411
MAT-POS-f42f3716-1
0.411
MAT-POS-590ac91e-7
0.410
EDJ-MED-e58735b6-1
0.410
MAT-POS-044491d2-1
0.409
MAT-POS-f42f3716-6
0.409
MAT-POS-f42f3716-9
0.408
GAB-REV-70cc3ca5-20
0.407
BEN-DND-93268d01-5
0.407
ALP-POS-95b75b4d-4
0.407
RAL-THA-6b94ceba-2
0.406
CHO-MSK-6e55470f-5
0.406
DAR-DIA-23e5a6a0-24
0.406
GAB-REV-70cc3ca5-21
0.405
ALP-POS-95b75b4d-3
0.405
DAR-DIA-0cde14eb-76
0.405
JAN-GHE-83b26c96-14
0.405
ANN-UNI-98d2bf15-2
0.405
EDJ-MED-e58735b6-4
0.404
MAK-UNK-372b0df5-3
0.402
DAR-DIA-0cde14eb-2
0.402
DAR-DIA-0cde14eb-62
0.402