Molecular Properties | |
SMILES: | CC(NC(=O)c1cccc(-n2ncc(C#N)c2N)c1)C(O)c1c(F)cccc1F |
MW: | 397.14 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 116.96 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
aniline
UNK-CYC-68f84b31-15
0.627
UNK-CYC-68f84b31-26
0.581
UNK-CYC-68f84b31-79
0.562
UNK-CYC-68f84b31-48
0.543
UNK-CYC-68f84b31-9
0.536
UNK-CYC-68f84b31-58
0.528
UNK-CYC-68f84b31-6
0.526
UNK-CYC-68f84b31-59
0.516
UNK-CYC-68f84b31-54
0.511
UNK-CYC-68f84b31-44
0.511
UNK-CYC-68f84b31-3
0.505
UNK-CYC-68f84b31-10
0.500
UNK-CYC-68f84b31-8
0.495
UNK-CYC-68f84b31-39
0.495
UNK-CYC-68f84b31-61
0.479
UNK-CYC-68f84b31-29
0.475
UNK-CYC-68f84b31-71
0.465
UNK-CYC-68f84b31-52
0.464
UNK-CYC-68f84b31-30
0.458
UNK-CYC-68f84b31-12
0.453
UNK-CYC-68f84b31-55
0.438
UNK-CYC-68f84b31-65
0.432
UNK-CYC-68f84b31-11
0.418
UNK-CYC-68f84b31-47
0.411
UNK-CYC-68f84b31-53
0.390
UNK-CYC-68f84b31-28
0.384
UNK-CYC-68f84b31-27
0.375
UNK-CYC-68f84b31-83
0.352
UNK-CYC-68f84b31-68
0.330
UNK-CYC-68f84b31-81
0.330
UNK-CYC-68f84b31-80
0.324
UNK-CYC-68f84b31-62
0.321
UNK-CYC-68f84b31-34
0.320
UNK-CYC-68f84b31-60
0.317
UNK-CYC-68f84b31-41
0.312
UNK-CYC-68f84b31-45
0.302
UNK-CYC-68f84b31-90
0.298
UNK-CYC-68f84b31-78
0.282
UNK-CYC-68f84b31-64
0.275
UNK-CYC-68f84b31-74
0.274
UNK-CYC-68f84b31-24
0.270
UNK-CYC-68f84b31-31
0.266
UNK-CYC-68f84b31-51
0.260
UNK-CYC-68f84b31-38
0.257
MAR-TRE-8190bb11-36
0.255
MAR-TRE-8190bb11-15
0.253
WIL-UNI-1faa9b10-46
0.253
UNK-CYC-68f84b31-4
0.252
MAR-TRE-799db12b-45
0.250
BAR-COM-4e090d3a-2
0.246
UNK-CYC-68f84b31-46
0.246
UNK-CYC-68f84b31-70
0.246
BAR-COM-4e090d3a-14
0.245
MAR-TRE-be9ff7d2-64
0.245
MAR-TRE-8190bb11-1
0.245
UNK-CYC-68f84b31-73
0.244
MAR-TRE-799db12b-36
0.241
MAR-TRE-66ac689e-45
0.240
MAR-TRE-a9136c7b-62
0.240
MAR-TRE-799db12b-49
0.239
MAR-TRE-799db12b-75
0.238
MAT-POS-b5746674-123
0.236
MAR-TRE-a9136c7b-12
0.236
MAR-TRE-a9136c7b-58
0.236
WIL-UNI-1faa9b10-18
0.235
UNK-CYC-68f84b31-66
0.234
MAT-POS-b5746674-124
0.231
MAR-TRE-9d18ae8c-92
0.231
RAF-POL-b61b4b25-6
0.230
BEN-VAN-5787f7d3-5
0.229
MAR-TRE-a9136c7b-46
0.229
MAR-TRE-799db12b-91
0.227
MAR-TRE-66ac689e-77
0.226
MAR-TRE-92684b97-60
0.224
MAR-TRE-66ac689e-36
0.224
UNK-CYC-68f84b31-43
0.224
MAR-TRE-66ac689e-27
0.223
AAR-UNI-c25c2f1e-94
0.222
MAR-TRE-92684b97-59
0.222
GAB-FAC-0d239413-1
0.221
MAR-TRE-be9ff7d2-47
0.221
MAK-UNK-10dfa458-24
0.220
MAR-TRE-a9136c7b-52
0.220
MAR-TRE-92684b97-32
0.220
MAR-TRE-0fda4e82-90
0.220
MAR-TRE-be9ff7d2-3
0.220
MAR-TRE-92684b97-77
0.220
UNK-CYC-68f84b31-19
0.219
MAR-TRE-a9136c7b-22
0.219
MAR-TRE-9d18ae8c-80
0.219
AAR-UNI-c25c2f1e-49
0.218
MAR-TRE-1c920f6f-30
0.218
MAR-TRE-66ac689e-54
0.218
MAR-TRE-4f781e27-40
0.218
MAR-TRE-e82e6c98-87
0.217
MAR-TRE-e82e6c98-43
0.216
MAR-TRE-4f781e27-70
0.216
MAR-TRE-f5c2d31c-6
0.216
MAR-TRE-6c5ef77a-47
0.216
MAR-TRE-9d18ae8c-10
0.216