Molecular Properties | |
SMILES: | CC(NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 |
MW: | 455.08 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 125.36 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
carbamate, CBZ Protected
carbamate include di-substitued N
Long aliphatic chain
Hetero_hetero
Dipeptide
UNK-CYC-68f84b31-42
0.684
UNK-CYC-68f84b31-18
0.554
UNK-CYC-68f84b31-52
0.343
FAR-UNI-a04c1544-1
0.330
MAT-POS-bfefc3ea-2
0.327
UNK-CYC-68f84b31-6
0.325
FAR-UNI-124f5ee8-1
0.320
BAR-COM-4e090d3a-19
0.314
JOH-MSK-46727e7b-1
0.313
UNK-CYC-68f84b31-38
0.308
MAR-TRE-1c920f6f-96
0.308
UNK-CYC-68f84b31-40
0.306
JOH-MSK-8ad0fd05-1
0.306
UNK-CYC-68f84b31-3
0.296
UNK-CYC-68f84b31-70
0.295
MAR-TRE-1c920f6f-81
0.294
FAR-UNI-9a76d7b5-1
0.290
AAR-POS-fca48359-12
0.290
MAK-UNK-f983951f-5
0.287
MAT-POS-bfefc3ea-3
0.286
OLE-CAR-5b17bec5-10
0.282
SIM-TAK-0ea87db9-1
0.278
OLE-CAR-5b17bec5-9
0.272
UNK-CYC-68f84b31-17
0.271
UNK-CYC-68f84b31-36
0.268
MAR-TRE-92684b97-59
0.265
VAL-UNK-82caa8e7-1
0.263
OLE-CAR-5b17bec5-8
0.260
UNK-CYC-68f84b31-41
0.259
MAR-TRE-a3327163-76
0.257
MAR-TRE-14ce9fd6-26
0.256
MAK-UNK-f983951f-13
0.253
UNK-CYC-68f84b31-35
0.252
MAR-TRE-14ce9fd6-48
0.248
MAK-UNK-be3f299e-2
0.247
UNK-CYC-68f84b31-79
0.246
UNK-CYC-68f84b31-15
0.243
ARI-TAT-5792557e-28
0.243
NAU-LAT-445f63e5-4
0.242
UNK-CYC-68f84b31-55
0.242
MAR-TRE-92684b97-60
0.242
MAT-POS-b5746674-123
0.241
UNK-CYC-68f84b31-26
0.241
MAR-TRE-9d18ae8c-47
0.240
MAR-TRE-e86a56b5-55
0.240
MAR-TRE-14ce9fd6-63
0.240
MAT-POS-b5746674-62
0.239
MAT-POS-a3f7f96a-4
0.238
MAR-TRE-8190bb11-60
0.238
MAK-UNK-27459e11-5
0.237
MAT-POS-b5746674-124
0.236
NIC-UNK-21c5e845-3
0.236
UNK-CYC-68f84b31-29
0.236
UNK-CYC-68f84b31-62
0.235
UNK-CYC-68f84b31-24
0.234
UNK-CYC-68f84b31-10
0.234
MAR-TRE-85681e92-59
0.234
SHA-THE-408e7524-9
0.231
UNK-CYC-68f84b31-58
0.230
SER-UNI-400afb01-5
0.229
UNK-CYC-68f84b31-83
0.229
TAM-UNI-d1c3dd9f-10
0.229
ROD-UFR-d767f115-1
0.229
MAK-UNK-f983951f-22
0.228
MAR-TRE-a3327163-30
0.228
NAU-LAT-81109c57-5
0.228
MAK-UNK-c44f4be0-1
0.228
MAR-TRE-74c6519b-52
0.226
LAU-FAC-e2c8b4ad-1
0.226
ARI-TAT-5792557e-14
0.226
ANG-FNM-4baa7e20-1
0.225
MAR-TRE-8190bb11-1
0.225
JAN-GHE-4287bd1a-2
0.225
UNK-CYC-68f84b31-74
0.225
VAL-ASS-c8151e3f-1
0.225
MAR-TRE-14ce9fd6-65
0.224
MAR-TRE-8190bb11-87
0.224
MAR-TRE-85681e92-66
0.223
UNK-CYC-68f84b31-68
0.223
ALP-POS-8df010a9-1
0.223
MAK-UNK-c44f4be0-9
0.222
UNK-CYC-68f84b31-47
0.222
JUA-UNI-b93289a4-6
0.222
VAL-ASS-db6a4353-1
0.222
KEI-TRE-fa9ada3e-19
0.222
MAR-TRE-6c5ef77a-40
0.222
ALP-POS-88a7a97e-44
0.221
WAR-XCH-79d12f6e-2
0.221
MAR-TRE-fd17a9b8-93
0.221
MAR-TRE-e86a56b5-98
0.221
MAK-UNK-c44f4be0-7
0.220
ROD-UFR-74bef589-1
0.220
DRA-CSI-47e38074-4
0.220
MAK-UNK-9955b1f3-12
0.220
NIC-UNK-21c5e845-2
0.220
UNK-CYC-68f84b31-54
0.219
MAK-UNK-c44f4be0-10
0.219
ARI-TAT-5792557e-22
0.219
BAR-COM-4e090d3a-36
0.218
MAK-UNK-c44f4be0-2
0.218