Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)c1cc(CN2CCC(O)CC2)cs1 |
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-1
0.554
MAK-UNK-31051d4e-3
0.548
MAK-UNK-31051d4e-4
0.407
MAK-UNK-31051d4e-5
0.389
MAK-UNK-31051d4e-6
0.389
MAK-UNK-1cb0e944-13
0.378
MAK-UNK-8145c7a0-5
0.357
MIH-UNI-6b9ca91a-6
0.350
MAK-UNK-8145c7a0-2
0.350
MAK-UNK-27459e11-4
0.347
MAK-UNK-27459e11-1
0.346
AAR-POS-d2a4d1df-7
0.342
MAK-UNK-27459e11-3
0.333
MAK-UNK-5e88aa6a-4
0.333
AAR-POS-d2a4d1df-1
0.333
MAK-UNK-1cb0e944-2
0.333
MAK-UNK-b2c98f02-3
0.330
NIY-UNK-62612a68-6
0.327
MAK-UNK-b2c98f02-1
0.327
MAK-UNK-b2c98f02-4
0.320
MAK-UNK-07311286-1
0.318
MAK-UNK-07311286-2
0.318
MAK-UNK-27459e11-2
0.309
MAK-UNK-b2c98f02-2
0.308
GIA-UNK-595fac82-5
0.306
MAK-UNK-8145c7a0-4
0.305
MAK-UNK-5e88aa6a-8
0.304
MAK-UNK-1cb0e944-6
0.304
SUG-SAT-4be79373-5
0.303
MAK-UNK-8145c7a0-1
0.301
GIA-UNK-5ec6c2b8-3
0.300
MAK-UNK-194150d3-11
0.300
TRY-UNI-1fd04853-4
0.298
MAK-UNK-acefcb18-27
0.294
DUN-NEW-f8ce3686-23
0.290
MAK-UNK-e4a48a85-4
0.287
MAK-UNK-8145c7a0-6
0.286
MAK-UNK-b2c98f02-7
0.283
MAK-UNK-1cb0e944-12
0.281
MAK-UNK-acefcb18-25
0.281
MAK-UNK-c44f4be0-2
0.279
MAK-UNK-c44f4be0-1
0.279
BEN-DND-362d364a-1
0.279
MAK-UNK-5e88aa6a-5
0.278
MAK-UNK-1cb0e944-3
0.278
DUN-NEW-f8ce3686-11
0.277
MAK-UNK-b2c98f02-5
0.276
MAK-UNK-b2c98f02-9
0.276
CES-WAB-18e74d70-2
0.275
SUG-SAT-4be79373-3
0.275
MAK-UNK-1cb0e944-5
0.274
MAK-UNK-5e88aa6a-10
0.274
MAK-UNK-e4a48a85-9
0.273
MAK-UNK-e4a48a85-17
0.272
SUG-SAT-4be79373-1
0.272
MAK-UNK-8145c7a0-7
0.271
MAK-UNK-e4a48a85-18
0.271
CAM-STU-3ef21e73-1
0.270
MAK-UNK-acefcb18-26
0.269
SAM-UNK-2684b532-8
0.267
MAK-UNK-e4a48a85-7
0.267
MAK-UNK-8145c7a0-3
0.264
ANT-DIA-b7f58f21-4
0.263
MAK-UNK-acefcb18-28
0.262
SAM-UNK-2684b532-9
0.262
MAK-UNK-194150d3-16
0.261
MAK-UNK-b2c98f02-8
0.261
MAK-UNK-ec98eaf6-5
0.261
MAK-UNK-194150d3-14
0.261
SUG-SAT-4be79373-2
0.260
MAK-UNK-b2c98f02-6
0.260
MAK-UNK-194150d3-1
0.258
MED-COV-4280ac29-17
0.257
DAN-MCD-9950a804-1
0.257
DAN-MCD-1a622181-1
0.257
DRR-IMP-38dce17f-3
0.256
MAK-UNK-7c9d1431-24
0.256
PET-SGC-39d74636-1
0.256
MAK-UNK-c44f4be0-8
0.255
MAK-UNK-194150d3-4
0.253
MAK-UNK-009ebe36-10
0.252
SAM-UNK-903735bd-1
0.252
MAK-UNK-c44f4be0-9
0.252
MAK-UNK-c44f4be0-5
0.252
NAU-LAT-445f63e5-1
0.250
MAK-UNK-c44f4be0-7
0.250
DRA-CSI-0a78d9ba-1
0.248
SAD-SAT-7d5528d9-11
0.248
MAR-TRE-66ac689e-43
0.247
MAR-TRE-6a44bbf2-9
0.247
MAK-UNK-a7992eb3-13
0.245
PET-SGC-39d74636-2
0.245
JAN-UNI-2e92c4b1-3
0.245
DRA-CSI-47e38074-1
0.244
MAK-UNK-1cb0e944-4
0.243
MAK-UNK-5e88aa6a-7
0.243
MAK-UNK-5e88aa6a-12
0.243
DUN-NEW-f8ce3686-25
0.242
MAK-UNK-af83ef51-2
0.242
JOO-PER-74f994a9-1
0.241