Molecular Properties | |
SMILES: | O=C(O)c1cc(CC2CCCCC2)ccc1NS(=O)(=O)NCCc1ccccc1 |
MW: | 416.543 |
Fraction sp3: | 0.41 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 95.5 |
cLogP: | 3.9966 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALE-HEI-f28a35b5-9
MAK-UNK-194150d3-14
0.415
MAK-UNK-194150d3-1
0.402
MAK-UNK-b2c98f02-3
0.400
MAK-UNK-b2c98f02-1
0.396
MAK-UNK-b2c98f02-2
0.388
MAK-UNK-b2c98f02-4
0.388
MAK-UNK-b2c98f02-5
0.354
AAR-POS-d2a4d1df-1
0.333
MAK-UNK-27459e11-4
0.329
MAK-UNK-27459e11-3
0.316
MAK-UNK-31051d4e-1
0.316
ANT-DIA-b7f58f21-4
0.315
MAK-UNK-31051d4e-3
0.313
MAK-UNK-27459e11-1
0.312
MAK-UNK-27459e11-2
0.309
MAK-UNK-b2c98f02-8
0.308
MAK-UNK-31051d4e-5
0.307
MAK-UNK-b2c98f02-9
0.301
MAK-UNK-31051d4e-2
0.300
MAK-UNK-c44f4be0-7
0.298
MAK-UNK-b2c98f02-6
0.297
MAK-UNK-b2c98f02-7
0.295
MAK-UNK-31051d4e-6
0.294
MAK-UNK-31051d4e-4
0.293
MAK-UNK-c44f4be0-1
0.291
MAK-UNK-07311286-1
0.289
MIH-UNI-6b9ca91a-6
0.286
DRA-CSI-47e38074-3
0.286
AAR-POS-fca48359-5
0.284
BEN-DND-362d364a-1
0.279
DRA-CSI-47e38074-2
0.278
MAK-UNK-c44f4be0-8
0.278
ALE-UNK-fca05062-4
0.277
MAK-UNK-c44f4be0-9
0.276
MAK-UNK-c44f4be0-5
0.276
MAK-UNK-07311286-2
0.275
WAR-XCH-bdd24732-37
0.271
PAU-WEI-c6d65c11-1
0.270
DUN-NEW-f8ce3686-25
0.268
MAK-UNK-c44f4be0-2
0.268
DUN-NEW-f8ce3686-23
0.265
SUG-SAT-4be79373-5
0.265
DRA-CSI-47e38074-16
0.264
MAK-UNK-8145c7a0-1
0.264
SUG-SAT-4be79373-2
0.260
DRA-CSI-47e38074-9
0.260
MAK-UNK-c44f4be0-6
0.259
DRA-CSI-47e38074-8
0.258
DAN-MCD-34fd4f29-1
0.257
MAK-UNK-8145c7a0-4
0.257
DAN-MCD-1a622181-1
0.257
DAN-MCD-9950a804-1
0.257
DRA-CSI-47e38074-12
0.256
DRA-CSI-47e38074-4
0.256
DRA-CSI-47e38074-7
0.255
LON-WEI-b2874fec-22
0.255
MAK-UNK-8145c7a0-5
0.255
MAK-UNK-af83ef51-6
0.253
MAK-UNK-8145c7a0-3
0.252
MAR-TRE-6a44bbf2-11
0.250
DRA-CSI-47e38074-10
0.250
MAK-UNK-8145c7a0-2
0.250
MAK-UNK-8145c7a0-6
0.250
MAK-UNK-10dfa458-39
0.250
MAK-UNK-f2409524-35
0.250
MAT-UCB-70f7c0f7-5
0.248
MAK-UNK-8145c7a0-7
0.248
MAR-TRE-6a44bbf2-9
0.247
MAT-POS-b5746674-112
0.245
MAK-UNK-ec98eaf6-58
0.245
DRA-CSI-47e38074-6
0.245
DRA-CSI-47e38074-5
0.244
AAR-UNI-c25c2f1e-62
0.243
MAT-POS-b5746674-51
0.243
DRA-CSI-47e38074-15
0.242
DRA-CSI-47e38074-11
0.242
MAK-UNK-10dfa458-40
0.242
ALE-UNK-fca05062-3
0.242
MAK-UNK-10dfa458-9
0.242
MAK-UNK-af83ef51-2
0.242
MAK-UNK-194150d3-12
0.242
BEN-DND-362d364a-5
0.241
AAR-POS-fca48359-4
0.240
AAR-POS-fca48359-3
0.238
DAV-UNI-bdcebb58-1
0.238
SUG-SAT-4be79373-3
0.238
SUG-SAT-4be79373-4
0.238
MAK-UNK-df1a028e-4
0.237
MAK-UNK-194150d3-8
0.237
DAR-DIA-03336633-7
0.236
JAG-SYN-9c2cd0bd-9
0.236
SAD-SAT-29425be4-29
0.236
SUG-SAT-4be79373-1
0.236
BEN-BAS-2a7c309d-1
0.236
NIR-THE-0d6461ce-4
0.235
NEL-UNI-1464a899-4
0.235
MAT-POS-b5746674-58
0.235
SAD-SAT-65574d3f-3
0.235
DRA-CSI-47e38074-14
0.234
MAK-UNK-69bf97dd-1
0.234