Molecular Properties | |
SMILES: | O=C(CCl)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 |
MW: | 295.06 |
Fraction sp3: | 0.91 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 63.68 |
cLogP: | 0.42 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAN-PUR-6788a628-1
0.452
DAN-PUR-6788a628-2
0.452
NJA-MAN-b8640440-20
0.436
DAN-PUR-3907f623-3
0.324
NJA-MAN-b8640440-18
0.321
NIM-UNI-594fbbb6-2
0.318
NIM-UNI-bb610069-2
0.318
NJA-MAN-b8640440-22
0.299
NIM-UNI-594fbbb6-1
0.296
NIM-UNI-bb610069-1
0.296
NJA-MAN-b8640440-47
0.286
NJA-MAN-b8640440-9
0.286
NJA-MAN-b8640440-19
0.279
JUA-UNI-b93289a4-1
0.276
NJA-MAN-b8640440-17
0.276
JUA-UNI-a9dfaed1-1
0.273
MAR-TRE-a78003aa-100
0.269
NJA-MAN-b8640440-39
0.267
NJA-MAN-b8640440-34
0.267
NJA-MAN-b8640440-45
0.267
NJA-MAN-b8640440-51
0.264
NJA-MAN-b8640440-11
0.264
NJA-MAN-b8640440-24
0.261
NJA-MAN-b8640440-25
0.261
NJA-MAN-b8640440-28
0.261
NIM-UNI-02269248-1
0.258
NJA-MAN-b8640440-30
0.258
NJA-MAN-00c90aa2-22
0.256
NJA-MAN-b8640440-53
0.256
NJA-MAN-b8640440-52
0.253
NJA-MAN-00c90aa2-36
0.253
INS-INS-8dbfb37c-1
0.252
NJA-MAN-b8640440-35
0.250
NJA-MAN-b8640440-32
0.250
NJA-MAN-b8640440-33
0.250
NJA-MAN-b8640440-14
0.247
NJA-MAN-b9fb953f-6
0.247
NJA-MAN-b8640440-5
0.247
NJA-MAN-00c90aa2-19
0.244
NJA-MAN-00c90aa2-35
0.244
NJA-MAN-b8640440-12
0.244
NJA-MAN-b8640440-41
0.244
SAD-SAT-5b1897b2-6
0.243
NJA-MAN-00c90aa2-4
0.242
NJA-MAN-b8640440-26
0.241
NJA-MAN-b8640440-16
0.241
NJA-MAN-b9fb953f-4
0.241
NJA-MAN-00c90aa2-27
0.239
NJA-MAN-b8640440-7
0.239
NJA-MAN-00c90aa2-15
0.239
SAD-SAT-d8079f6f-9
0.238
INS-INS-714f82db-1
0.237
NJA-MAN-b8640440-29
0.236
MAR-TRE-a78003aa-48
0.235
NJA-MAN-b8640440-50
0.233
NJA-MAN-b8640440-23
0.233
NJA-MAN-b8640440-13
0.233
NJA-MAN-b8640440-36
0.233
NJA-MAN-b8640440-42
0.233
NJA-MAN-00c90aa2-32
0.233
NJA-MAN-00c90aa2-68
0.233
NJA-MAN-b8640440-6
0.233
NJA-MAN-00c90aa2-17
0.231
NJA-MAN-00c90aa2-28
0.231
NIM-UNI-02269248-2
0.230
MIC-UNK-bcd487e9-4
0.230
NJA-MAN-b8640440-15
0.230
NJA-MAN-b8640440-37
0.230
NJA-MAN-00c90aa2-57
0.229
NJA-MAN-00c90aa2-61
0.229
NJA-MAN-00c90aa2-34
0.228
NJA-MAN-00c90aa2-20
0.228
NJA-MAN-00c90aa2-11
0.228
NJA-MAN-00c90aa2-12
0.228
NJA-MAN-00c90aa2-42
0.228
NJA-MAN-00c90aa2-71
0.228
NJA-MAN-00c90aa2-5
0.228
NJA-MAN-b8640440-48
0.227
NJA-MAN-00c90aa2-44
0.227
MAT-POS-b5746674-13
0.227
NJA-MAN-00c90aa2-40
0.226
NJA-MAN-00c90aa2-8
0.226
NJA-MAN-00c90aa2-18
0.226
NJA-MAN-00c90aa2-37
0.226
NJA-MAN-00c90aa2-39
0.226
NJA-MAN-b8640440-8
0.225
NJA-MAN-00c90aa2-3
0.225
MAK-UNK-5d2caa6f-8
0.225
NJA-MAN-b8640440-10
0.225
NJA-MAN-b8640440-21
0.225
NJA-MAN-00c90aa2-21
0.223
NJA-MAN-00c90aa2-33
0.223
NJA-MAN-00c90aa2-41
0.223
NJA-MAN-00c90aa2-29
0.223
NJA-MAN-00c90aa2-60
0.223
WIL-NOV-066c4001-1
0.222
INS-INS-bc954fb0-1
0.222
NJA-MAN-00c90aa2-30
0.222
NJA-MAN-00c90aa2-54
0.221
LON-WEI-4d77710c-13
0.221