Molecular Properties | |
SMILES: | CN(C)c1ccc(N(Cc2cccc(Cl)c2)C(=O)Cn2nnc3ccccc32)nc1 |
MW: | 420.15 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 67.15 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-6d04362c-2
ALP-POS-75715966-5
0.776
CHO-MSK-00c5269a-3
0.721
ALP-POS-bad7201a-15
0.721
ALP-POS-6d04362c-2
0.721
CHO-MSK-00c5269a-1
0.663
CHO-MSK-00c5269a-2
0.641
DAR-DIA-093892e4-11
0.624
EDJ-MED-06d94977-2
0.624
DAR-DIA-093892e4-12
0.611
CHO-MSK-00c5269a-5
0.586
CHO-MSK-00c5269a-4
0.586
DAR-DIA-093892e4-7
0.576
RAL-THA-4a5dabff-2
0.562
DAR-DIA-093892e4-5
0.541
ALP-POS-6d04362c-1
0.533
MAT-POS-06036648-1
0.532
DAR-DIA-093892e4-3
0.525
DAR-DIA-093892e4-6
0.525
DAR-DIA-093892e4-9
0.520
DAR-DIA-093892e4-1
0.520
DAR-DIA-093892e4-2
0.515
DAR-DIA-093892e4-8
0.510
DAR-DIA-093892e4-10
0.510
ALP-POS-d2866bdf-1
0.505
PET-UNK-b75fdf9f-1
0.500
ALP-POS-87c86d55-1
0.490
MAT-POS-6c284e65-1
0.481
MAT-POS-06036648-5
0.475
PET-UNK-7374c256-2
0.460
PET-UNK-1901c25b-3
0.460
MAT-POS-3b92565d-13
0.457
VLA-UCB-34f3ed0c-2
0.456
OLG-UNK-911c2067-1
0.455
PET-UNK-b75fdf9f-2
0.455
RAL-THA-4a5dabff-8
0.454
RAL-THA-4a5dabff-1
0.454
MAT-POS-06036648-2
0.452
ALP-POS-c0c213c9-6
0.452
RUT-UNI-630c5802-26
0.452
ALP-POS-c59291d4-4
0.451
DAR-DIA-093892e4-4
0.450
ALP-POS-bad7201a-14
0.447
ALP-POS-bad7201a-5
0.447
RAL-THA-4a5dabff-3
0.446
MAT-POS-06036648-3
0.443
RUT-UNI-630c5802-27
0.443
PET-UNK-1901c25b-2
0.442
MAD-UNK-b1ea4171-1
0.438
RUT-UNI-630c5802-24
0.438
MAD-UNK-84a4f939-1
0.438
RUT-UNI-630c5802-25
0.435
MAT-POS-ffe83904-1
0.435
ALP-POS-c59291d4-1
0.433
ALP-POS-c0c213c9-15
0.433
ALP-POS-6d04362c-5
0.429
MAR-LAB-ca4662a6-7
0.427
ROB-IMP-e811baff-1
0.426
ALP-POS-c0c213c9-18
0.425
ALP-POS-7c842ab8-1
0.422
ALP-POS-c59291d4-2
0.422
UNK-UNK-2ede4078-94
0.418
AAR-POS-8a4e0f60-7
0.415
DAR-DIA-667e571f-2
0.414
AAR-POS-8a4e0f60-1
0.411
MAT-POS-bfb445d4-1
0.411
BEN-DND-02317c5c-12
0.411
MAT-POS-3b92565d-14
0.411
BEN-DND-61647d40-12
0.411
ALP-POS-6d04362c-4
0.409
ALP-POS-6d04362c-3
0.409
ALP-POS-87c86d55-2
0.409
MAT-POS-06036648-6
0.404
RUT-UNI-630c5802-5
0.404
EDJ-MED-06d94977-1
0.400
ALP-POS-c59291d4-3
0.398
RUT-UNI-630c5802-21
0.396
RUT-UNI-630c5802-1
0.395
HOL-KAN-828c7b64-1
0.393
HOL-KAN-47917554-1
0.392
UNK-UNK-2ede4078-29
0.391
RUT-UNI-630c5802-17
0.390
RUT-UNI-630c5802-18
0.390
WIL-UNI-2e73223c-2
0.389
RUT-UNI-630c5802-22
0.389
RUT-UNI-630c5802-9
0.385
RUT-UNI-630c5802-20
0.383
RAL-THA-4a5dabff-5
0.380
MAT-POS-06036648-4
0.379
MAT-POS-06036648-9
0.379
UNK-UNK-2ede4078-81
0.379
AAR-POS-8a4e0f60-8
0.378
RUT-UNI-630c5802-19
0.374
DAR-DIA-667e571f-3
0.372
DAR-DIA-667e571f-7
0.372
ALP-POS-c0c213c9-3
0.372
DAR-DIA-667e571f-4
0.371
MAR-LAB-ff9967db-30
0.366
UNK-UNK-2ede4078-8
0.365
RUT-UNI-630c5802-13
0.364
ALP-POS-75715966-4
0.362