Molecular Properties | |
SMILES: | CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cccc(Cl)c2)cc1 |
MW: | 433.13 |
Fraction sp3: | 0.13 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.12 |
cLogP: | 4.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-06036648-5
0.790
MAT-POS-06036648-4
0.728
MAT-POS-06036648-1
0.723
DAR-DIA-667e571f-5
0.638
EDJ-MED-06d94977-1
0.635
ALP-POS-bad7201a-14
0.591
MAT-POS-06036648-6
0.567
ALP-POS-c59291d4-2
0.556
ALP-POS-87c86d55-2
0.556
MAT-POS-06036648-2
0.515
DAR-DIA-667e571f-6
0.513
DAR-DIA-667e571f-3
0.500
BEN-DND-61647d40-12
0.494
MAT-POS-3b92565d-14
0.494
MAT-POS-bfb445d4-1
0.494
BEN-DND-02317c5c-12
0.494
EDJ-MED-06d94977-2
0.473
ALP-POS-75715966-5
0.471
DAR-DIA-093892e4-11
0.471
CHO-MSK-00c5269a-1
0.470
ALP-POS-6d04362c-2
0.470
CHO-MSK-00c5269a-3
0.470
ALP-POS-bad7201a-15
0.470
VLA-UCB-34f3ed0c-2
0.461
ROB-IMP-e811baff-1
0.457
CHO-MSK-00c5269a-2
0.456
DAR-DIA-667e571f-2
0.455
RAL-THA-4a5dabff-8
0.444
ALP-POS-75715966-1
0.443
DAR-DIA-093892e4-7
0.440
RAL-THA-4a5dabff-6
0.439
DAR-DIA-667e571f-4
0.436
DAR-DIA-093892e4-12
0.434
RUT-UNI-630c5802-5
0.432
MAR-LAB-ca4662a6-7
0.432
MAT-POS-3b92565d-13
0.432
OLG-UNK-911c2067-1
0.431
CHO-MSK-00c5269a-4
0.431
CHO-MSK-00c5269a-5
0.431
UNK-UNK-2ede4078-81
0.424
MAT-POS-06036648-9
0.424
RUT-UNI-630c5802-13
0.416
PET-UNK-b75fdf9f-1
0.416
ALP-POS-c59291d4-3
0.414
ALP-POS-6d04362c-1
0.414
ALP-POS-c59291d4-4
0.413
RUT-UNI-630c5802-9
0.412
RUT-UNI-630c5802-1
0.411
UNK-UNK-2ede4078-94
0.408
DAR-DIA-093892e4-3
0.404
DAR-DIA-093892e4-6
0.404
DAR-DIA-093892e4-2
0.396
MAR-LAB-ff9967db-30
0.394
ALP-POS-a1bdc92a-1
0.394
DAR-DIA-093892e4-10
0.393
RAL-THA-4a5dabff-2
0.393
DAR-DIA-093892e4-5
0.389
MAR-LAB-ff9967db-4
0.388
RUT-UNI-630c5802-20
0.387
ALP-POS-a3de0cb1-2
0.383
RUT-UNI-630c5802-27
0.382
MAT-POS-06036648-8
0.381
PET-UNK-7374c256-2
0.381
PET-UNK-1901c25b-3
0.381
ALP-POS-87c86d55-1
0.381
ALP-POS-d2866bdf-1
0.381
MIC-UNK-d36ab305-3
0.380
ALP-POS-6d04362c-5
0.380
ALP-POS-a3de0cb1-1
0.380
RUT-UNI-630c5802-26
0.376
MAD-UNK-b1ea4171-1
0.376
MAD-UNK-84a4f939-1
0.376
DAR-DIA-093892e4-1
0.375
DAR-DIA-093892e4-9
0.375
ALP-POS-7c842ab8-1
0.375
RAL-THA-4a5dabff-1
0.373
BEN-DND-61647d40-2
0.373
ALP-POS-bad7201a-5
0.370
RAL-THA-4a5dabff-7
0.368
DAR-DIA-093892e4-8
0.368
AAR-POS-8a4e0f60-7
0.367
PET-UNK-1901c25b-2
0.367
DAR-DIA-667e571f-1
0.366
VLA-UCB-50c39ae8-5
0.364
VLA-UCB-05e51b3f-8
0.364
AAR-POS-8a4e0f60-1
0.364
ALP-POS-c0c213c9-6
0.364
MAR-LAB-ff9967db-24
0.364
RUT-UNI-630c5802-24
0.364
RUT-UNI-630c5802-21
0.361
AAR-POS-8a4e0f60-4
0.359
ALP-POS-c0c213c9-15
0.358
ALP-POS-c59291d4-1
0.358
WIL-UNI-2e73223c-2
0.357
RUT-UNI-630c5802-17
0.355
RUT-UNI-630c5802-18
0.355
RAL-THA-4a5dabff-3
0.355
RUT-UNI-630c5802-22
0.355
DAR-DIA-093892e4-4
0.353
DAR-DIA-667e571f-7
0.352