Molecular Properties | |
SMILES: | CN(C)CCC(=O)NC(C)(C(=O)Nc1cncc2ccccc12)c1ccc(Cl)c(Cl)c1 |
MW: | 458.13 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 74.33 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-12-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
Dipeptide
MAT-POS-e9e99895-10
0.775
MAT-POS-e9e99895-11
0.747
MAT-POS-fce787c2-9
0.675
MAT-POS-e9e99895-9
0.653
MAT-POS-e9e99895-6
0.643
MAT-POS-e9e99895-7
0.614
MAT-POS-e9e99895-13
0.611
MAT-POS-e9e99895-3
0.604
MAT-POS-e9e99895-4
0.586
MAT-POS-e9e99895-2
0.573
MAT-POS-e9e99895-5
0.569
MAT-POS-e9e99895-1
0.565
MAT-POS-fce787c2-7
0.565
MAT-POS-e9e99895-8
0.562
MAT-POS-fce787c2-6
0.541
RAL-THA-2d450e86-24
0.467
PET-UNK-dd44aeb6-2
0.467
NAU-LAT-2fed8305-1
0.467
MAT-POS-23a8a11a-1
0.466
MAT-POS-fce787c2-10
0.465
MAT-POS-1f3f1a6f-2
0.452
RAL-THA-2d450e86-36
0.448
PET-UNK-8c422e11-1
0.448
MAT-POS-fce787c2-3
0.440
PET-UNK-8c422e11-2
0.439
MAT-POS-de59a476-4
0.439
BEN-DND-d1eb1f41-6
0.438
MAT-POS-de59a476-5
0.433
MAT-POS-fce787c2-11
0.430
RAL-THA-2d450e86-15
0.430
RAL-THA-2d450e86-9
0.430
RAL-THA-2d450e86-8
0.430
EDG-MED-90036822-62
0.427
MAT-POS-fce787c2-1
0.427
MAT-POS-1f3f1a6f-3
0.427
MAT-POS-fce787c2-2
0.427
MAT-POS-fce787c2-5
0.426
MAT-POS-de59a476-2
0.426
ALP-POS-f13221e1-2
0.426
PET-UNK-bb7ffe78-1
0.426
MIC-UNK-08fa0751-2
0.424
MAT-POS-fce787c2-4
0.424
MAT-POS-de59a476-1
0.424
MAT-POS-1f3f1a6f-1
0.424
MAT-POS-fce787c2-8
0.421
MAK-UNK-919546f0-5
0.420
RAL-THA-2d450e86-27
0.419
ALP-POS-df536be7-5
0.418
RAL-THA-2d450e86-33
0.418
DAR-DIA-0587064e-7
0.417
RAL-THA-2d450e86-18
0.417
ALP-POS-3b848b35-1
0.417
MAT-POS-3b92565d-2
0.417
PET-UNK-8c422e11-4
0.416
RAL-THA-2d450e86-2
0.416
RAL-THA-2d450e86-6
0.415
VLA-UNK-b9c208fe-2
0.413
MAT-POS-afd4d4fd-3
0.413
ALP-POS-df536be7-6
0.412
ADA-UCB-dc2b944c-17
0.411
RAL-THA-2d450e86-30
0.411
VLA-UNK-9a7dc93f-1
0.411
LON-WEI-af038623-3
0.407
RAL-THA-2d450e86-21
0.406
MAT-POS-1f3f1a6f-4
0.406
RYA-UNI-14580791-1
0.404
RAL-THA-2d450e86-19
0.404
RAL-THA-2d450e86-20
0.404
MAT-POS-afd4d4fd-1
0.404
PET-UNK-dd44aeb6-1
0.404
RAL-THA-2d450e86-25
0.404
RAL-THA-1d44ff04-5
0.404
RAL-THA-2d450e86-32
0.402
ADA-UCB-6c2cb422-1
0.402
NAU-LAT-2fed8305-9
0.402
RAL-THA-1d44ff04-4
0.402
DAR-DIA-0587064e-4
0.402
MIC-UNK-df9dcda8-2
0.402
DAR-DIA-0587064e-2
0.402
MIC-UNK-37660950-2
0.402
DAR-DIA-0587064e-1
0.400
RAL-THA-2d450e86-37
0.400
BEN-BAS-5c03e89e-2
0.400
RAL-THA-2d450e86-14
0.400
PET-UNK-3c72d439-1
0.400
ALP-POS-d7944b10-2
0.398
JUL-TUD-06b2044f-54
0.398
BEN-DND-d1eb1f41-4
0.398
RAL-THA-2d450e86-28
0.398
PET-UNK-bb7ffe78-3
0.398
RAL-THA-2d450e86-29
0.398
PET-UNK-dd44aeb6-3
0.398
MAT-POS-bbbbc21a-1
0.398
MAT-POS-3b92565d-1
0.398
RAL-THA-2d450e86-34
0.398
RAL-THA-2d450e86-13
0.398
MAT-POS-afd4d4fd-2
0.398
RAL-THA-1d44ff04-6
0.396
PET-UNK-bb7ffe78-2
0.396
MAR-UCB-f313ec4d-3
0.396