Molecular Properties | |
SMILES: | CNc1ccc(N(C(=O)Cn2nnc3ccccc32)c2cc(Cl)cc(OC)c2)cc1 |
MW: | 421.13 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 72.28 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-06036648-2
0.807
MAT-POS-06036648-4
0.807
DAR-DIA-667e571f-3
0.737
MAT-POS-06036648-5
0.706
DAR-DIA-667e571f-5
0.607
DAR-DIA-667e571f-6
0.598
DAR-DIA-667e571f-2
0.598
DAR-DIA-667e571f-4
0.580
MAT-POS-06036648-3
0.567
MAT-POS-06036648-1
0.554
MAT-POS-06036648-9
0.516
DAR-DIA-093892e4-3
0.515
CHO-MSK-00c5269a-2
0.471
ALP-POS-c59291d4-4
0.470
UNK-UNK-2ede4078-94
0.468
MAR-LAB-ca4662a6-7
0.448
DAR-DIA-093892e4-7
0.440
EDJ-MED-06d94977-1
0.433
EDJ-MED-06d94977-2
0.427
UNK-UNK-2ede4078-81
0.424
ALP-POS-bad7201a-5
0.423
DAR-DIA-667e571f-7
0.422
ALP-POS-75715966-5
0.415
DAR-DIA-093892e4-4
0.414
ALP-POS-6d04362c-2
0.413
CHO-MSK-00c5269a-1
0.413
ALP-POS-bad7201a-15
0.413
CHO-MSK-00c5269a-3
0.413
DAR-DIA-093892e4-2
0.409
VLA-UCB-34f3ed0c-2
0.406
AAR-POS-8a4e0f60-7
0.406
DAR-DIA-093892e4-10
0.405
DAR-DIA-093892e4-6
0.404
ROB-IMP-e811baff-1
0.404
ALP-POS-75715966-1
0.404
PET-UNK-b75fdf9f-1
0.402
DAR-DIA-093892e4-11
0.402
BEN-DND-02317c5c-12
0.400
MAT-POS-bfb445d4-1
0.400
BEN-DND-61647d40-12
0.400
MAT-POS-3b92565d-14
0.400
ALP-POS-bad7201a-14
0.396
DAR-DIA-093892e4-12
0.394
PET-UNK-7374c256-2
0.394
PET-UNK-1901c25b-3
0.394
DAR-DIA-667e571f-1
0.391
AAR-POS-8a4e0f60-6
0.390
OLG-UNK-911c2067-1
0.390
ALP-POS-6d04362c-1
0.386
UNK-UNK-2ede4078-29
0.383
MAR-LAB-ff9967db-30
0.382
CHO-MSK-00c5269a-4
0.381
CHO-MSK-00c5269a-5
0.381
MAR-LAB-ff9967db-10
0.379
MAT-POS-c79fcd02-1
0.376
ALP-POS-c59291d4-2
0.375
ALP-POS-87c86d55-2
0.375
MAT-POS-3b92565d-13
0.374
ALP-POS-87c86d55-1
0.368
ALP-POS-d2866bdf-1
0.368
RAL-THA-4a5dabff-2
0.367
ALP-POS-c59291d4-3
0.365
RUT-UNI-630c5802-19
0.364
MAR-LAB-ff9967db-4
0.364
DAR-DIA-093892e4-5
0.364
MAR-LAB-ff9967db-27
0.364
ALP-POS-7c842ab8-1
0.363
DAR-DIA-093892e4-1
0.363
DAR-DIA-093892e4-9
0.363
ALP-POS-c0c213c9-3
0.363
MAR-LAB-ff9967db-12
0.362
RAL-THA-4a5dabff-1
0.359
RUT-UNI-630c5802-5
0.359
WIL-UNI-2e73223c-2
0.357
RUT-UNI-630c5802-13
0.356
MAT-POS-ffe83904-1
0.355
RUT-UNI-630c5802-17
0.355
MAT-POS-06036648-8
0.355
MAR-LAB-ff9967db-38
0.355
ALP-POS-6d04362c-5
0.355
RUT-UNI-630c5802-22
0.355
PET-UNK-1901c25b-2
0.355
RUT-UNI-630c5802-9
0.353
PET-UNK-b75fdf9f-2
0.352
VLA-UCB-05e51b3f-8
0.352
VLA-UCB-50c39ae8-5
0.352
MAD-UNK-b1ea4171-1
0.351
ALP-POS-c0c213c9-6
0.351
RUT-UNI-630c5802-24
0.351
RUT-UNI-630c5802-26
0.351
MAR-LAB-ff9967db-24
0.351
MAD-UNK-84a4f939-1
0.351
ANT-OPE-45835252-1
0.351
RUT-UNI-630c5802-1
0.350
ALP-POS-c0c213c9-13
0.350
MAR-LAB-ff9967db-3
0.350
RUT-UNI-630c5802-21
0.349
RUT-UNI-630c5802-20
0.349
ANT-DIA-62e4526e-1
0.347
AAR-POS-8a4e0f60-4
0.346