Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)C(Cc1cccc(F)c1)Cc1ccco1 |
MW: | 387.13 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 59.31 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-1
SUG-SAT-4be79373-4
0.518
SUG-SAT-4be79373-5
0.453
SUG-SAT-4be79373-3
0.432
SUG-SAT-4be79373-1
0.427
AAR-POS-0daf6b7e-36
0.378
MAK-UNK-27459e11-2
0.378
AAR-POS-d2a4d1df-1
0.373
MIH-UNI-6b9ca91a-6
0.368
MAK-UNK-27459e11-3
0.333
MAK-UNK-27459e11-4
0.329
ALP-POS-02c6a514-2
0.327
ALP-POS-b0bc6a46-2
0.327
MAT-POS-02ae579f-1
0.320
MAK-UNK-07311286-2
0.318
MAK-UNK-8145c7a0-3
0.313
MAK-UNK-27459e11-1
0.312
CHE-UNK-ae827f53-2
0.311
MAK-UNK-07311286-1
0.302
DUN-NEW-f8ce3686-23
0.302
MAK-UNK-b2c98f02-5
0.300
MAK-UNK-c44f4be0-5
0.300
KHR-WEI-75c61062-2
0.297
MAK-UNK-8145c7a0-6
0.297
MAR-TRE-92684b97-91
0.297
ANT-DIA-b7f58f21-4
0.296
KHR-WEI-75c61062-1
0.294
MAK-UNK-31051d4e-4
0.292
MAK-UNK-8145c7a0-5
0.290
ALF-EVA-719172df-6
0.287
DAR-DIA-48c639f7-1
0.284
MAK-UNK-c44f4be0-7
0.284
MAK-UNK-194150d3-1
0.283
MAT-POS-f2460aef-2
0.282
ALF-EVA-46063d6e-2
0.282
MAT-POS-f2460aef-1
0.282
LON-WEI-2e27a2e5-1
0.282
ALP-POS-02c6a514-14
0.281
ALP-POS-b0bc6a46-8
0.281
ALP-POS-02c6a514-19
0.281
ALP-POS-ced8ea4d-28
0.279
MAK-UNK-c44f4be0-2
0.278
MAK-UNK-c44f4be0-1
0.278
ALP-POS-02c6a514-47
0.277
ALP-POS-b0bc6a46-28
0.277
ALP-POS-ced8ea4d-64
0.277
ALP-POS-02c6a514-8
0.276
PAU-WEI-d9f77348-1
0.276
ALP-POS-b0bc6a46-7
0.276
PET-UNK-48ab5cd7-6
0.276
MAK-UNK-31051d4e-1
0.276
ALP-POS-b0bc6a46-29
0.275
ALP-POS-02c6a514-34
0.275
ALE-UNK-fca05062-4
0.275
ALP-POS-02c6a514-58
0.275
MAK-UNK-b2c98f02-1
0.275
ALP-POS-b0bc6a46-3
0.273
ALP-POS-02c6a514-3
0.273
ALP-POS-b0bc6a46-23
0.273
ALP-POS-02c6a514-38
0.273
PET-UNK-48ab5cd7-4
0.272
ALP-POS-02c6a514-20
0.272
ALP-POS-b0bc6a46-12
0.272
ALP-POS-02c6a514-44
0.272
PAU-WEI-df8f33bc-2
0.272
ALP-POS-ced8ea4d-54
0.270
PAU-WEI-ca14c437-1
0.270
MAK-UNK-8145c7a0-7
0.269
MAK-UNK-b2c98f02-2
0.269
ALP-POS-02c6a514-31
0.269
MIC-UNK-8686cf1d-2
0.269
MIC-UNK-7c90192e-1
0.268
MIC-UNK-8686cf1d-9
0.268
ALP-POS-02c6a514-37
0.268
ALP-POS-b0bc6a46-22
0.268
ALF-EVA-46063d6e-1
0.267
MAK-UNK-8145c7a0-4
0.267
MAK-UNK-194150d3-10
0.266
ALP-POS-b0bc6a46-24
0.265
ALP-POS-02c6a514-39
0.265
ALP-POS-b0bc6a46-6
0.265
ALP-POS-02c6a514-41
0.265
ALP-POS-02c6a514-7
0.265
ALP-POS-b0bc6a46-25
0.265
CHE-UNK-ae827f53-1
0.264
MAK-UNK-c44f4be0-8
0.264
ALP-POS-02c6a514-11
0.264
ALP-POS-02c6a514-9
0.263
ALP-POS-02c6a514-13
0.263
ALP-POS-02c6a514-48
0.263
MIC-UNK-8686cf1d-7
0.262
MAK-UNK-c44f4be0-9
0.262
ALP-POS-e980f4ea-64
0.261
DAR-DIA-48c639f7-17
0.261
ALP-POS-b0bc6a46-4
0.261
ALP-POS-02c6a514-4
0.261
MIC-UNK-8686cf1d-1
0.260
MAK-UNK-31051d4e-2
0.260
MAK-UNK-31051d4e-3
0.260
MAK-UNK-194150d3-11
0.260
MAK-UNK-8145c7a0-2
0.260