Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cccc(C(=N)N)c1 |
MW: | 241.316 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 96.04 |
cLogP: | 0.0623700000000002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Hetero_hetero
MAK-UNK-27459e11-10
0.582
ANT-DIA-b7f58f21-2
0.558
MAK-UNK-27459e11-16
0.549
MAK-UNK-27459e11-9
0.455
AAR-POS-d2a4d1df-1
0.451
ANT-DIA-b7f58f21-6
0.438
ANT-DIA-b7f58f21-7
0.429
MAK-UNK-c44f4be0-4
0.417
ANT-DIA-b7f58f21-1
0.404
MAK-UNK-27459e11-8
0.400
ANT-DIA-b7f58f21-3
0.393
MAK-UNK-27459e11-7
0.390
SIM-DEM-5935bd74-2
0.385
MAK-UNK-8145c7a0-11
0.379
PET-SGC-85e821e4-1
0.379
MAK-UNK-27459e11-4
0.362
MAK-UNK-27459e11-3
0.344
MAK-UNK-27459e11-1
0.339
MAK-UNK-27459e11-2
0.333
MAK-UNK-27459e11-6
0.312
MAK-UNK-27459e11-12
0.306
MAK-UNK-27459e11-13
0.306
SIM-DEM-5935bd74-1
0.306
PET-SGC-85e821e4-2
0.306
GAB-REV-df64cf17-1
0.304
ANT-DIA-b7f58f21-5
0.300
ELE-IMP-dfb36048-5
0.294
ROB-UNI-b2e39629-1
0.290
ANT-DIA-b7f58f21-8
0.290
ELE-IMP-dfb36048-3
0.289
MAR-UNI-9ca61fdc-1
0.288
MAK-UNK-8145c7a0-12
0.287
MAK-UNK-6435e6c2-7
0.286
AAR-POS-0daf6b7e-31
0.286
MAR-UCB-195bc32d-28
0.284
MAK-UNK-c44f4be0-14
0.279
AAR-UNI-c25c2f1e-89
0.274
JOK-SYG-a0b0bf84-1
0.274
MAK-UNK-27459e11-5
0.273
JAG-UCB-ef2c0e8e-8
0.270
AAR-UNI-c25c2f1e-12
0.270
DUN-NEW-f8ce3686-10
0.269
CAL-AMP-9edebd8f-1
0.269
ELE-IMP-dfb36048-2
0.269
PET-SGC-90aed325-1
0.268
BEN-DND-362d364a-6
0.268
WIL-LEE-1f71e281-7
0.268
ELE-IMP-dfb36048-4
0.265
AAR-UNI-c25c2f1e-7
0.264
SIM-DEM-5935bd74-7
0.264
ANT-DIA-b7f58f21-9
0.262
JAN-GHE-1d98ec1c-6
0.260
WAR-XCH-6eb0722e-5
0.259
ANN-UNI-98d2bf15-2
0.256
MAK-UNK-07311286-2
0.253
NAU-LAT-f723e322-3
0.253
WIL-UNI-1faa9b10-7
0.253
ADA-UNI-f8e79267-7
0.253
ASH-UNK-40b46b30-6
0.250
HAN-NEW-5f56c3bc-2
0.250
ROB-UNI-b2e39629-2
0.250
BEN-DND-362d364a-9
0.250
SEL-UNI-cd366922-9
0.247
SIM-DEM-f31d0e65-1
0.247
WIL-UNI-1faa9b10-46
0.247
MIH-UNI-6b9ca91a-6
0.246
MAK-UNK-8145c7a0-10
0.245
PET-SGC-0ecb2cfe-1
0.244
WAR-XCH-6eb0722e-4
0.241
ADA-UNI-f8e79267-8
0.241
SAD-SAT-135344c3-10
0.241
DUN-NEW-f8ce3686-14
0.241
MAR-TRE-9d18ae8c-47
0.241
MAR-TRE-fd17a9b8-52
0.241
WAR-XCH-6eb0722e-1
0.239
SCO-VAN-260d9628-4
0.239
DUN-NEW-f8ce3686-5
0.237
JAN-GHE-1d98ec1c-2
0.237
MAK-UNK-07311286-1
0.237
WIL-LEE-23e8b574-3
0.237
DRE-WAB-9b73098a-1
0.236
MAD-FNM-74857450-1
0.236
MAR-TRE-0fda4e82-10
0.236
ROB-UNI-b2e39629-9
0.235
MAK-UNK-194150d3-1
0.235
ANT-DIA-b7f58f21-4
0.233
ROB-UNI-b2e39629-10
0.233
BEN-DND-362d364a-7
0.233
ROB-UNI-b2e39629-4
0.232
BEN-DND-362d364a-8
0.232
SIM-DEM-265738e1-1
0.232
SAM-UNK-903735bd-2
0.232
TAM-UNI-c140e31a-15
0.232
PET-SGC-f818f65b-1
0.232
ELE-IMP-dfb36048-1
0.232
MAR-TRE-3e4e6814-22
0.231
JAN-GHE-6413aaf8-7
0.231
SAM-UNK-83e03154-2
0.230
SCO-VAN-260d9628-2
0.230
JAG-UCB-ef2c0e8e-5
0.230