Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccccc1)c1ccc(CNCc2cccc(F)c2)o1 |
MW: | 388.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 71.34 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-1
SUG-SAT-4be79373-5
0.466
AAR-POS-0daf6b7e-36
0.432
SUG-SAT-4be79373-2
0.432
SUG-SAT-4be79373-1
0.409
SUG-SAT-4be79373-4
0.383
MIH-UNI-6b9ca91a-6
0.367
DUN-NEW-f8ce3686-23
0.358
RAF-UNK-26121f85-4
0.351
MAK-UNK-07311286-1
0.349
AAR-POS-d2a4d1df-1
0.333
MAK-UNK-27459e11-4
0.329
RAF-UNK-26121f85-7
0.319
MAK-UNK-07311286-2
0.318
MAK-UNK-27459e11-3
0.316
MAK-UNK-27459e11-2
0.309
MAK-UNK-27459e11-1
0.296
MAK-UNK-8145c7a0-5
0.291
MAK-UNK-8145c7a0-2
0.286
MAK-UNK-31051d4e-1
0.277
MAK-UNK-942dcb71-4
0.277
MAK-UNK-942dcb71-3
0.277
MAK-UNK-31051d4e-2
0.275
MAK-UNK-31051d4e-3
0.275
MAK-UNK-b2c98f02-2
0.271
MAK-UNK-b2c98f02-4
0.271
MAK-UNK-b2c98f02-3
0.267
MAK-UNK-752736de-2
0.266
MAK-UNK-b2c98f02-1
0.264
ANT-DIA-b7f58f21-4
0.263
IND-SYN-8bc6954a-2
0.261
MAK-UNK-194150d3-1
0.258
MAK-UNK-31051d4e-5
0.257
WAL-WAB-df110a02-1
0.257
SAD-SAT-f25ee457-1
0.255
MAK-UNK-194150d3-10
0.253
MAK-UNK-8145c7a0-1
0.252
MAK-UNK-8145c7a0-3
0.252
MAK-UNK-8145c7a0-6
0.250
MAT-POS-02ae579f-1
0.250
MAK-UNK-b2c98f02-7
0.248
MAK-UNK-8145c7a0-7
0.248
DRR-IMP-38dce17f-2
0.247
MAK-UNK-c44f4be0-1
0.246
MAK-UNK-c44f4be0-2
0.246
MAK-UNK-8145c7a0-4
0.245
MAK-UNK-31051d4e-6
0.245
MAR-TRE-04c86cea-60
0.243
BEN-DND-362d364a-1
0.243
MAK-UNK-31051d4e-4
0.243
ALE-UNK-fca05062-3
0.242
MAK-UNK-b2c98f02-5
0.241
MAK-UNK-b2c98f02-9
0.241
BRU-THA-92256091-7
0.239
MAK-UNK-b2c98f02-8
0.239
FAR-UNI-736b943a-1
0.239
MAK-UNK-194150d3-11
0.238
ALP-POS-ced8ea4d-28
0.237
MAK-UNK-194150d3-8
0.237
ALP-POS-02c6a514-34
0.236
MAK-UNK-194150d3-13
0.236
MAK-UNK-b2c98f02-6
0.236
ALP-POS-ced8ea4d-64
0.235
MAR-TRE-4b834d9a-75
0.235
ALP-POS-02c6a514-2
0.235
ALP-POS-b0bc6a46-2
0.235
ALP-POS-e980f4ea-28
0.233
ALP-POS-02c6a514-11
0.233
ALE-UNK-fca05062-4
0.233
MAR-TRE-4b834d9a-25
0.231
ALP-POS-e980f4ea-64
0.231
MAK-UNK-c44f4be0-5
0.229
BEN-DND-76ad4ac9-3
0.229
MAK-UNK-194150d3-6
0.229
JAG-UCB-ef2c0e8e-5
0.228
MAK-UNK-194150d3-12
0.228
MAK-UNK-c44f4be0-7
0.227
NIM-UNI-310206f0-54
0.226
ALP-POS-d0876c20-16
0.226
RAF-UNK-26121f85-9
0.226
MAK-UNK-c44f4be0-6
0.225
ALP-POS-95f71980-40
0.225
NIM-UNI-310206f0-17
0.224
DAR-DIA-48c639f7-1
0.224
MAK-UNK-194150d3-3
0.223
WIL-UNI-1faa9b10-38
0.223
MAT-POS-b5746674-112
0.223
PET-UNK-48ab5cd7-3
0.223
ALP-POS-e980f4ea-35
0.223
MAR-TRE-b77b7921-51
0.222
RAL-THA-2d450e86-10
0.222
MAR-TRE-4b834d9a-2
0.222
MAK-UNK-194150d3-2
0.222
CHE-UNK-ae827f53-2
0.222
WIL-UNI-1faa9b10-6
0.222
MAR-TRE-0fda4e82-24
0.222
ALP-POS-ced8ea4d-35
0.221
MAT-POS-f2460aef-4
0.221
ALP-POS-d0876c20-21
0.221
DAR-DIA-48c639f7-17
0.221
MAK-UNK-c44f4be0-8
0.221