Molecular Properties | |
SMILES: | O=C(CCl)N(Cc1cnnn1Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1 |
MW: | 417.318 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 85.16 |
cLogP: | 1.7343 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
NIM-UNI-bb610069-2
1.000
NIM-UNI-02269248-1
0.784
NIM-UNI-bb610069-1
0.400
NIM-UNI-594fbbb6-1
0.400
DAN-PUR-6788a628-1
0.358
DAN-PUR-6788a628-2
0.358
DAN-PUR-3907f623-3
0.341
MAR-TRE-6a44bbf2-37
0.318
NJA-MAN-b8640440-9
0.306
NJA-MAN-00c90aa2-42
0.304
NJA-MAN-b8640440-45
0.303
NJA-MAN-b8640440-39
0.303
NJA-MAN-00c90aa2-15
0.303
NJA-MAN-b8640440-11
0.300
NJA-MAN-00c90aa2-30
0.300
NIM-UNI-02269248-2
0.300
NJA-MAN-b8640440-25
0.297
NJA-MAN-b8640440-28
0.297
NJA-MAN-b8640440-30
0.294
NJA-MAN-00c90aa2-3
0.290
NJA-MAN-b8640440-34
0.290
NJA-MAN-b8640440-51
0.287
NJA-MAN-b8640440-18
0.284
NJA-MAN-b8640440-17
0.284
NJA-MAN-b8640440-24
0.284
NJA-MAN-b8640440-41
0.284
NJA-MAN-b8640440-20
0.282
NJA-MAN-b8640440-53
0.279
NJA-MAN-b8640440-52
0.276
NJA-MAN-00c90aa2-36
0.276
MAK-UNK-7c9d1431-29
0.274
NJA-MAN-b8640440-36
0.273
NJA-MAN-b9fb953f-6
0.273
NJA-MAN-b8640440-13
0.273
NJA-MAN-00c90aa2-32
0.273
NJA-MAN-00c90aa2-47
0.271
NJA-MAN-b9fb953f-4
0.267
NJA-MAN-b8640440-26
0.267
NJA-MAN-00c90aa2-10
0.267
NJA-MAN-00c90aa2-43
0.267
NJA-MAN-00c90aa2-71
0.267
NJA-MAN-00c90aa2-70
0.267
NJA-MAN-00c90aa2-64
0.266
NJA-MAN-b8640440-21
0.265
NJA-MAN-b8640440-7
0.265
NJA-MAN-00c90aa2-69
0.264
NJA-MAN-00c90aa2-40
0.264
NJA-MAN-00c90aa2-63
0.264
NJA-MAN-b8640440-19
0.262
NJA-MAN-00c90aa2-33
0.262
NJA-MAN-00c90aa2-56
0.261
NJA-MAN-b8640440-6
0.260
NJA-MAN-b8640440-5
0.260
NJA-MAN-00c90aa2-68
0.260
NJA-MAN-b8640440-42
0.260
NJA-MAN-b8640440-50
0.260
NJA-MAN-00c90aa2-59
0.259
NJA-MAN-b8640440-15
0.257
NJA-MAN-b8640440-12
0.257
NJA-MAN-b8640440-37
0.257
NJA-MAN-00c90aa2-19
0.257
NJA-MAN-00c90aa2-66
0.257
NJA-MAN-00c90aa2-28
0.257
NJA-MAN-00c90aa2-55
0.257
NJA-MAN-b8640440-48
0.255
NJA-MAN-b8640440-16
0.255
NJA-MAN-b8640440-47
0.255
NJA-MAN-00c90aa2-44
0.255
NJA-MAN-00c90aa2-2
0.255
NJA-MAN-00c90aa2-4
0.255
NJA-MAN-00c90aa2-5
0.255
NJA-MAN-00c90aa2-12
0.255
NJA-MAN-00c90aa2-34
0.255
NJA-MAN-00c90aa2-11
0.255
NJA-MAN-00c90aa2-20
0.255
NJA-MAN-00c90aa2-58
0.255
NJA-MAN-b8640440-8
0.252
NJA-MAN-b8640440-10
0.252
NJA-MAN-00c90aa2-31
0.252
NJA-MAN-00c90aa2-8
0.252
NJA-MAN-00c90aa2-13
0.252
NJA-MAN-00c90aa2-23
0.252
NJA-MAN-00c90aa2-27
0.252
NJA-MAN-00c90aa2-1
0.252
NJA-MAN-00c90aa2-18
0.252
NJA-MAN-00c90aa2-37
0.252
NJA-MAN-b8640440-33
0.250
NJA-MAN-b8640440-29
0.250
NJA-MAN-b8640440-32
0.250
NJA-MAN-00c90aa2-53
0.250
NJA-MAN-00c90aa2-9
0.250
NJA-MAN-00c90aa2-21
0.250
NJA-MAN-00c90aa2-24
0.250
NJA-MAN-00c90aa2-60
0.250
NJA-MAN-b8640440-35
0.250
NJA-MAN-00c90aa2-29
0.250
NJA-MAN-00c90aa2-54
0.248
NJA-MAN-b8640440-38
0.248
NJA-MAN-b8640440-14
0.248
NJA-MAN-b8640440-23
0.248