Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)c1sccc1CN1CCC(O)CC1 |
MW: | 380.535 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 69.64 |
cLogP: | 2.2258 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-31051d4e-3
0.613
MAK-UNK-31051d4e-2
0.554
MAK-UNK-31051d4e-4
0.411
MAK-UNK-31051d4e-5
0.394
MAK-UNK-31051d4e-6
0.379
MAK-UNK-8145c7a0-5
0.361
MAK-UNK-27459e11-3
0.355
MIH-UNI-6b9ca91a-6
0.354
CES-WAB-18e74d70-2
0.353
MAK-UNK-5e88aa6a-8
0.352
MAK-UNK-1cb0e944-6
0.352
MAK-UNK-8145c7a0-2
0.340
AAR-POS-d2a4d1df-1
0.338
MAK-UNK-27459e11-4
0.333
MAK-UNK-27459e11-1
0.333
MAK-UNK-5e88aa6a-10
0.333
MAK-UNK-1cb0e944-5
0.333
MAK-UNK-1cb0e944-12
0.326
MAK-UNK-07311286-2
0.322
MAK-UNK-8145c7a0-4
0.320
MAK-UNK-b2c98f02-3
0.320
DUN-NEW-f8ce3686-11
0.320
MAK-UNK-b2c98f02-1
0.317
MAK-UNK-8145c7a0-1
0.317
MAK-UNK-194150d3-11
0.316
TRY-UNI-1fd04853-4
0.315
MAK-UNK-acefcb18-25
0.314
MAK-UNK-8145c7a0-6
0.314
MAK-UNK-27459e11-2
0.312
AAR-POS-d2a4d1df-7
0.312
MAK-UNK-b2c98f02-2
0.311
MAK-UNK-b2c98f02-4
0.311
MAK-UNK-1cb0e944-3
0.309
MAK-UNK-5e88aa6a-5
0.309
MAK-UNK-07311286-1
0.307
DUN-NEW-f8ce3686-23
0.306
SAM-UNK-2684b532-9
0.303
MAK-UNK-e4a48a85-4
0.303
CAM-STU-3ef21e73-1
0.302
MAK-UNK-1cb0e944-13
0.295
GIA-UNK-595fac82-5
0.294
MAK-UNK-1cb0e944-4
0.291
MAK-UNK-5e88aa6a-7
0.291
PET-SGC-39d74636-1
0.287
SUG-SAT-4be79373-1
0.287
MAK-UNK-b2c98f02-8
0.287
MAK-UNK-b2c98f02-7
0.286
MAK-UNK-8145c7a0-7
0.286
NIY-UNK-62612a68-6
0.284
SAM-UNK-2684b532-8
0.283
MAK-UNK-acefcb18-27
0.282
SUG-SAT-4be79373-5
0.280
MAK-UNK-b2c98f02-5
0.279
SEB-EST-28768d06-1
0.279
MAK-UNK-b2c98f02-9
0.279
MAK-UNK-8145c7a0-3
0.279
SUG-SAT-4be79373-3
0.277
MAK-UNK-e4a48a85-9
0.276
SUG-SAT-4be79373-2
0.276
MAK-UNK-e4a48a85-18
0.274
GIA-UNK-5ec6c2b8-3
0.272
MED-COV-4280ac29-8
0.271
MAK-UNK-c44f4be0-2
0.270
SAD-SAT-f25ee457-4
0.269
BEN-DND-362d364a-1
0.269
TRY-UNI-9f475305-1
0.269
SAM-UNK-903735bd-1
0.267
ANT-DIA-b7f58f21-4
0.267
MAR-UNI-9d4da90d-5
0.264
MAK-UNK-e4a48a85-17
0.263
MAK-UNK-b2c98f02-6
0.262
MAK-UNK-1cb0e944-2
0.262
MAK-UNK-5e88aa6a-4
0.262
PET-SGC-39d74636-2
0.261
JAN-UNI-2e92c4b1-3
0.261
MAK-UNK-194150d3-1
0.260
MAR-TRE-799db12b-89
0.260
DAN-MCD-9950a804-1
0.259
DAN-MCD-1a622181-1
0.259
MAK-UNK-af83ef51-2
0.258
MED-COV-4280ac29-25
0.258
MAK-UNK-e4a48a85-7
0.257
MAR-UNI-9d4da90d-6
0.256
MAK-UNK-194150d3-4
0.255
MAK-UNK-e4a48a85-3
0.255
MAK-UNK-c44f4be0-9
0.255
SEL-UNI-cd366922-5
0.253
MAK-UNK-194150d3-7
0.253
MAK-UNK-acefcb18-28
0.252
MAK-UNK-c44f4be0-7
0.252
MAK-UNK-194150d3-14
0.252
ALE-UNK-fca05062-4
0.250
MAK-UNK-e4a48a85-6
0.250
MAR-TRE-6a44bbf2-9
0.250
MAK-UNK-194150d3-16
0.250
MAK-UNK-c44f4be0-1
0.248
MED-COV-4280ac29-1
0.248
MAK-UNK-acefcb18-26
0.248
WIL-LEE-23e8b574-5
0.247
DUN-NEW-f8ce3686-25
0.245