Molecular Properties | |
SMILES: | CCC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1 |
MW: | 463.14 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 89.35 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-06036648-6
0.807
DAR-DIA-667e571f-5
0.755
MAT-POS-06036648-2
0.744
MAT-POS-06036648-3
0.728
DAR-DIA-667e571f-6
0.618
DAR-DIA-667e571f-3
0.607
EDJ-MED-06d94977-1
0.587
MAT-POS-06036648-5
0.567
DAR-DIA-667e571f-2
0.560
DAR-DIA-667e571f-4
0.542
ALP-POS-bad7201a-14
0.535
MAT-POS-06036648-9
0.526
MAT-POS-06036648-1
0.515
ALP-POS-87c86d55-2
0.505
ALP-POS-c59291d4-2
0.505
DAR-DIA-093892e4-3
0.481
CHO-MSK-00c5269a-2
0.440
UNK-UNK-2ede4078-94
0.436
ROB-IMP-e811baff-1
0.416
MAR-LAB-ca4662a6-7
0.415
BEN-DND-02317c5c-12
0.414
BEN-DND-61647d40-12
0.414
MAT-POS-bfb445d4-1
0.414
MAT-POS-3b92565d-14
0.414
RAL-THA-4a5dabff-6
0.412
DAR-DIA-093892e4-7
0.411
DAR-DIA-667e571f-7
0.410
DAR-DIA-667e571f-1
0.404
EDJ-MED-06d94977-2
0.398
ALP-POS-bad7201a-5
0.396
UNK-UNK-2ede4078-81
0.396
RAL-THA-4a5dabff-8
0.393
AAR-POS-8a4e0f60-7
0.393
VLA-UCB-34f3ed0c-2
0.393
DAR-DIA-093892e4-4
0.390
ALP-POS-c59291d4-3
0.390
ALP-POS-75715966-5
0.389
DAR-DIA-093892e4-11
0.389
CHO-MSK-00c5269a-1
0.387
CHO-MSK-00c5269a-3
0.387
ALP-POS-6d04362c-2
0.387
ALP-POS-bad7201a-15
0.387
DAR-DIA-093892e4-2
0.385
RUT-UNI-630c5802-5
0.383
DAR-DIA-093892e4-10
0.381
DAR-DIA-093892e4-6
0.379
ALP-POS-75715966-1
0.379
OLG-UNK-911c2067-1
0.378
AAR-POS-8a4e0f60-6
0.378
MAR-LAB-ff9967db-4
0.377
PET-UNK-b75fdf9f-1
0.376
ALP-POS-c59291d4-4
0.375
ALP-POS-6d04362c-1
0.374
UNK-UNK-2ede4078-29
0.372
DAR-DIA-093892e4-12
0.371
PET-UNK-7374c256-2
0.369
PET-UNK-1901c25b-3
0.369
ALP-POS-a1bdc92a-1
0.369
RUT-UNI-630c5802-13
0.369
ALP-POS-a3de0cb1-1
0.368
RUT-UNI-630c5802-9
0.366
MAT-POS-c79fcd02-1
0.365
RUT-UNI-630c5802-1
0.364
MAT-POS-3b92565d-13
0.362
MAR-LAB-ff9967db-30
0.359
MAR-LAB-ff9967db-10
0.359
CHO-MSK-00c5269a-5
0.358
CHO-MSK-00c5269a-4
0.358
AAR-POS-8a4e0f60-4
0.349
BEN-DND-61647d40-2
0.349
RUT-UNI-630c5802-27
0.347
RAL-THA-4a5dabff-7
0.347
WIL-UNI-2e73223c-2
0.347
MAT-POS-ffe83904-1
0.346
ALP-POS-87c86d55-1
0.345
ALP-POS-d2866bdf-1
0.345
RAL-THA-4a5dabff-2
0.345
ALP-POS-6d04362c-5
0.345
MAR-LAB-ff9967db-12
0.343
RUT-UNI-630c5802-19
0.342
MAD-UNK-84a4f939-1
0.342
MAD-UNK-b1ea4171-1
0.342
RUT-UNI-630c5802-26
0.342
DAR-DIA-093892e4-5
0.342
DAR-DIA-093892e4-1
0.342
ALP-POS-c0c213c9-3
0.342
ALP-POS-7c842ab8-1
0.342
DAR-DIA-093892e4-9
0.342
RUT-UNI-630c5802-20
0.339
RUT-UNI-630c5802-21
0.339
RAL-THA-4a5dabff-1
0.336
MAR-LAB-ff9967db-38
0.336
MAR-LAB-ff9967db-27
0.333
PET-UNK-1901c25b-2
0.333
RUT-UNI-630c5802-17
0.333
RUT-UNI-630c5802-18
0.333
RUT-UNI-630c5802-22
0.333
ALP-POS-c0c213c9-13
0.331
AAR-POS-8a4e0f60-1
0.331
MAR-LAB-ff9967db-24
0.331