Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)c1cscc1CN1CCC(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-1
0.613
MAK-UNK-31051d4e-2
0.548
MAK-UNK-31051d4e-4
0.422
MAK-UNK-31051d4e-5
0.404
MAK-UNK-1cb0e944-6
0.395
MAK-UNK-5e88aa6a-8
0.395
MAK-UNK-31051d4e-6
0.389
MAK-UNK-1cb0e944-12
0.382
MAK-UNK-5e88aa6a-10
0.360
MAK-UNK-1cb0e944-5
0.360
MIH-UNI-6b9ca91a-6
0.350
MAK-UNK-07311286-1
0.349
MAK-UNK-07311286-2
0.349
MAK-UNK-1cb0e944-3
0.348
MAK-UNK-5e88aa6a-5
0.348
MAK-UNK-b2c98f02-2
0.347
MAK-UNK-8145c7a0-5
0.343
MAK-UNK-b2c98f02-3
0.343
MAK-UNK-27459e11-3
0.333
AAR-POS-d2a4d1df-1
0.333
DUN-NEW-f8ce3686-23
0.330
PET-SGC-39d74636-1
0.329
MAK-UNK-27459e11-1
0.329
MAK-UNK-27459e11-4
0.329
MAK-UNK-b2c98f02-1
0.327
MAK-UNK-27459e11-2
0.325
AAR-POS-d2a4d1df-7
0.325
MAK-UNK-8145c7a0-2
0.324
MAK-UNK-b2c98f02-4
0.320
MAK-UNK-c44f4be0-2
0.315
CAM-STU-3ef21e73-1
0.314
MAK-UNK-b2c98f02-5
0.314
SAM-UNK-2684b532-9
0.313
MAK-UNK-194150d3-11
0.313
TRY-UNI-1fd04853-4
0.312
MAK-UNK-acefcb18-25
0.310
CES-WAB-18e74d70-2
0.303
DUN-NEW-f8ce3686-11
0.303
MAK-UNK-8145c7a0-1
0.301
MAK-UNK-5e88aa6a-7
0.300
MAK-UNK-1cb0e944-4
0.300
MAK-UNK-b2c98f02-7
0.295
SAM-UNK-2684b532-8
0.293
MAK-UNK-8145c7a0-4
0.292
SAD-SAT-f25ee457-4
0.291
MAK-UNK-c44f4be0-1
0.291
MAK-UNK-b2c98f02-9
0.288
PET-SGC-39d74636-2
0.286
MAK-UNK-8145c7a0-6
0.286
JAN-UNI-2e92c4b1-3
0.286
MAK-UNK-b2c98f02-8
0.284
SUG-SAT-4be79373-1
0.284
MAK-UNK-8145c7a0-7
0.283
ANT-DIA-b7f58f21-4
0.280
MAK-UNK-acefcb18-27
0.279
MAK-UNK-1cb0e944-13
0.278
TRY-UNI-9f475305-1
0.278
SUG-SAT-4be79373-5
0.277
GIA-UNK-595fac82-5
0.276
MAR-UNI-9d4da90d-5
0.276
IND-SYN-8bc6954a-2
0.276
SUG-SAT-4be79373-3
0.275
MAK-UNK-acefcb18-28
0.275
MAK-UNK-e4a48a85-4
0.275
MAK-UNK-b2c98f02-6
0.272
NIY-UNK-62612a68-6
0.271
MAK-UNK-e4a48a85-18
0.271
DAN-MCD-1a622181-1
0.269
DAN-MCD-9950a804-1
0.269
GIA-UNK-5ec6c2b8-3
0.268
BEN-DND-362d364a-1
0.267
MAR-UNI-9d4da90d-6
0.267
MAK-UNK-194150d3-4
0.265
SAM-UNK-903735bd-1
0.265
MAK-UNK-8145c7a0-3
0.264
SEB-EST-28768d06-1
0.264
SAD-SAT-2fd372d1-2
0.261
MAR-TRE-6a44bbf2-9
0.261
SUG-SAT-4be79373-2
0.260
MAK-UNK-c44f4be0-6
0.259
MAK-UNK-e4a48a85-9
0.258
MAR-TRE-799db12b-89
0.258
MAK-UNK-af83ef51-2
0.256
MAK-UNK-194150d3-10
0.253
JAR-KUA-8c13982c-17
0.252
MAK-UNK-e4a48a85-3
0.252
MAK-UNK-c44f4be0-9
0.252
MAK-UNK-10dfa458-39
0.250
NAU-LAT-445f63e5-1
0.250
MAK-UNK-e4a48a85-17
0.250
MAK-UNK-194150d3-14
0.250
MAK-UNK-c44f4be0-7
0.250
ALE-UNK-fca05062-4
0.247
FRA-BIO-8bf1eac9-8
0.246
MAK-UNK-acefcb18-26
0.245
SAM-UNK-83e03154-1
0.245
MAK-UNK-194150d3-1
0.245
MAK-UNK-c44f4be0-8
0.243
VAL-ASS-c8151e3f-1
0.243
MAK-UNK-e4a48a85-7
0.243