Molecular Properties | |
SMILES: | N#C[C@H]1Cc2cc(-c3sccc3C(=O)c3cccc(C(F)(F)F)c3)cc(N(C(=O)CCl)[C@H]3CCS(=O)(=O)C3)c2C1 |
MW: | 607.075 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 95.31 |
cLogP: | 5.66218000000001 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
high halogen content (>3)
Ketone
AAR-POS-0daf6b7e-1
INS-INS-398f5681-1
0.652
INS-INS-a68edfff-1
0.652
INS-INS-8dbfb37c-1
0.358
INS-INS-714f82db-1
0.313
DAN-PUR-3907f623-3
0.295
INS-INS-7e24ab41-1
0.289
NJA-MAN-00c90aa2-12
0.250
DAN-PUR-6788a628-1
0.245
NJA-MAN-00c90aa2-48
0.242
NJA-MAN-00c90aa2-52
0.242
NJA-MAN-00c90aa2-57
0.241
NJA-MAN-00c90aa2-7
0.240
NJA-MAN-00c90aa2-66
0.233
NJA-MAN-00c90aa2-25
0.233
NJA-MAN-00c90aa2-44
0.230
NJA-MAN-00c90aa2-40
0.229
NJA-MAN-00c90aa2-31
0.229
NJA-MAN-00c90aa2-13
0.229
NJA-MAN-00c90aa2-27
0.229
NJA-MAN-00c90aa2-36
0.229
NJA-MAN-00c90aa2-1
0.229
NJA-MAN-00c90aa2-6
0.229
NJA-MAN-00c90aa2-26
0.229
NJA-MAN-00c90aa2-67
0.229
NJA-MAN-00c90aa2-53
0.228
NJA-MAN-00c90aa2-56
0.228
NJA-MAN-00c90aa2-68
0.224
DAN-PUR-6788a628-2
0.223
NJA-MAN-00c90aa2-17
0.223
MAR-TRE-6a44bbf2-37
0.222
NJA-MAN-00c90aa2-58
0.222
NJA-MAN-00c90aa2-38
0.221
NJA-MAN-00c90aa2-5
0.221
NJA-MAN-00c90aa2-34
0.221
NJA-MAN-00c90aa2-70
0.221
NJA-MAN-00c90aa2-49
0.221
NJA-MAN-00c90aa2-8
0.220
NJA-MAN-00c90aa2-23
0.220
NJA-MAN-00c90aa2-37
0.220
UNK-CYC-68f84b31-25
0.218
NJA-MAN-00c90aa2-41
0.218
NJA-MAN-00c90aa2-9
0.218
NJA-MAN-00c90aa2-24
0.218
SAL-INS-1c7a5a55-7
0.217
NJA-MAN-00c90aa2-47
0.216
NJA-MAN-00c90aa2-59
0.216
NJA-MAN-00c90aa2-54
0.216
GIA-UNK-7337c2f3-13
0.216
NJA-MAN-00c90aa2-45
0.215
NJA-MAN-00c90aa2-72
0.215
NJA-MAN-00c90aa2-55
0.215
NJA-MAN-00c90aa2-46
0.215
NJA-MAN-00c90aa2-50
0.215
NJA-MAN-00c90aa2-19
0.214
NJA-MAN-00c90aa2-28
0.214
NJA-MAN-00c90aa2-61
0.213
NJA-MAN-00c90aa2-62
0.213
IND-SYN-6c8299e8-2
0.213
NJA-MAN-b8640440-37
0.213
NJA-MAN-00c90aa2-11
0.212
NJA-MAN-00c90aa2-14
0.212
NJA-MAN-00c90aa2-20
0.212
NJA-MAN-00c90aa2-22
0.212
UNK-CYC-68f84b31-58
0.212
NJA-MAN-00c90aa2-43
0.212
NJA-MAN-00c90aa2-71
0.212
NJA-MAN-00c90aa2-4
0.212
MAT-POS-162a9720-2
0.212
NIL-NON-a189c016-1
0.212
NJA-MAN-b8640440-41
0.211
NJA-MAN-00c90aa2-69
0.211
NJA-MAN-00c90aa2-18
0.211
NJA-MAN-00c90aa2-39
0.211
MAK-UNK-7c9d1431-15
0.210
NJA-MAN-00c90aa2-29
0.209
NJA-MAN-00c90aa2-21
0.209
NJA-MAN-b8640440-35
0.208
NIM-UNI-bb610069-2
0.207
NIM-UNI-594fbbb6-2
0.207
NJA-MAN-b8640440-17
0.206
UNK-CYC-68f84b31-46
0.205
NJA-MAN-b8640440-36
0.205
SAD-SAT-29425be4-20
0.205
NJA-MAN-b8640440-5
0.205
NJA-MAN-00c90aa2-35
0.205
SAL-INS-1c7a5a55-8
0.205
NJA-MAN-00c90aa2-65
0.204
GIA-UNK-7337c2f3-12
0.203
NJA-MAN-b8640440-22
0.203
NJA-MAN-00c90aa2-2
0.203
NJA-MAN-00c90aa2-63
0.203
NJA-MAN-b8640440-47
0.202
THO-SYG-98fc3427-8
0.201
NJA-MAN-b8640440-52
0.201
SAL-INS-1c7a5a55-9
0.201
UNK-CYC-68f84b31-24
0.201
THO-SYG-98fc3427-10
0.200
JOO-PER-74f994a9-1
0.200
NJA-MAN-b8640440-7
0.200
NJA-MAN-b8640440-34
0.200