Molecular Properties | |
SMILES: | Cc1nnc(CN2CCC=C(F)C2S(=O)(=O)NCCc2ccccc2)s1 |
MW: | 396.513 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 75.19 |
cLogP: | 2.39382 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAK-UNK-8145c7a0-7
0.607
MAK-UNK-8145c7a0-6
0.527
MAK-UNK-8145c7a0-5
0.474
MAK-UNK-8145c7a0-3
0.454
MAK-UNK-8145c7a0-2
0.420
MAK-UNK-8145c7a0-1
0.410
MAK-UNK-31051d4e-5
0.376
MAK-UNK-31051d4e-6
0.337
MAK-UNK-b2c98f02-7
0.324
AAR-POS-d2a4d1df-8
0.322
AAR-POS-d2a4d1df-1
0.321
MAK-UNK-31051d4e-1
0.320
MAK-UNK-8145c7a0-12
0.318
MAK-UNK-b2c98f02-9
0.318
MAK-UNK-31051d4e-4
0.311
MAK-UNK-8145c7a0-11
0.307
MAK-UNK-27459e11-3
0.306
MAK-UNK-31051d4e-2
0.305
MAK-UNK-27459e11-1
0.302
MAK-UNK-27459e11-4
0.301
MAK-UNK-8145c7a0-8
0.300
MAK-UNK-27459e11-2
0.299
MAK-UNK-31051d4e-3
0.292
MAK-UNK-8145c7a0-10
0.292
MAK-UNK-b2c98f02-8
0.289
MIH-UNI-6b9ca91a-6
0.278
SAD-SAT-cefd50cc-8
0.278
MAK-UNK-8145c7a0-9
0.277
MAK-UNK-194150d3-14
0.276
MAK-UNK-b2c98f02-1
0.270
SUG-SAT-4be79373-2
0.267
MAK-UNK-194150d3-1
0.265
MAK-UNK-b2c98f02-3
0.261
NAU-LAT-42d4957e-4
0.260
MAK-UNK-b2c98f02-5
0.259
MAK-UNK-194150d3-11
0.257
SAD-SAT-cefd50cc-9
0.257
MAK-UNK-07311286-2
0.255
SUG-SAT-4be79373-1
0.255
MAK-UNK-b2c98f02-6
0.255
MAT-POS-b5746674-8
0.255
JAC-UNI-8d446b52-1
0.254
MAK-UNK-b2c98f02-2
0.254
MAT-POS-ea426761-3
0.252
BEN-DND-362d364a-1
0.250
DUN-NEW-f8ce3686-23
0.248
MAK-UNK-ae34c249-3
0.246
MAK-UNK-c44f4be0-7
0.246
SUG-SAT-4be79373-3
0.245
MAK-UNK-194150d3-5
0.245
MAK-UNK-b2c98f02-4
0.243
MAK-UNK-07311286-1
0.242
DAN-MCD-1a622181-1
0.241
DAN-MCD-9950a804-1
0.241
DAN-MCD-34fd4f29-1
0.241
ANT-DIA-b7f58f21-4
0.241
MAR-TRE-74c6519b-60
0.239
DUN-NEW-f8ce3686-25
0.238
MAK-UNK-af83ef51-2
0.237
MAK-UNK-c44f4be0-5
0.237
WAL-WAB-c1441da0-2
0.237
SUG-SAT-4be79373-5
0.236
SUG-SAT-4be79373-4
0.234
MAK-UNK-ec98eaf6-2
0.232
NAU-LAT-445f63e5-1
0.232
MAK-UNK-ae34c249-7
0.231
MAT-POS-b5746674-112
0.231
MAK-UNK-ae34c249-4
0.230
KUS-THE-322b9b63-22
0.230
MAR-TRE-6a44bbf2-9
0.230
MAR-TRE-04c86cea-27
0.230
IND-SYN-8bc6954a-2
0.229
ALE-UNK-fca05062-4
0.228
MAR-TRE-f6f5f473-7
0.226
MAK-UNK-194150d3-17
0.225
MAK-UNK-ec98eaf6-48
0.225
MAK-UNK-194150d3-6
0.225
MAK-UNK-194150d3-12
0.224
ALE-UNK-fca05062-3
0.224
MAR-TRE-74c6519b-100
0.223
MAK-UNK-ec98eaf6-11
0.223
IFT-SAT-023cfffe-2
0.223
MAK-UNK-c44f4be0-2
0.221
GIA-UNK-5ec6c2b8-3
0.220
MAK-UNK-194150d3-13
0.219
MAK-UNK-194150d3-2
0.219
MAK-UNK-987948f6-1
0.218
MAK-UNK-c44f4be0-8
0.218
TRY-UNI-9f475305-4
0.217
GIA-UNK-595fac82-5
0.216
WAL-WAB-9cbe20c2-2
0.216
PET-SGC-c4a91520-1
0.216
JUA-UNI-b93289a4-4
0.216
MAK-UNK-c44f4be0-9
0.216
MED-COV-4280ac29-8
0.215
MED-COV-4280ac29-25
0.215
MAR-TRE-66ac689e-7
0.215
RIC-ARG-a8e88843-4
0.214
ALE-HEI-f28a35b5-5
0.214
AHN-SAT-de2502ba-1
0.214