Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc(C(=N)N)cc1 |
MW: | 241.316 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 96.04 |
cLogP: | 0.0623700000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Hetero_hetero
MAK-UNK-27459e11-9
0.622
MAK-UNK-27459e11-15
0.549
AAR-POS-d2a4d1df-1
0.523
MAK-UNK-27459e11-10
0.481
MAK-UNK-27459e11-8
0.426
ANT-DIA-b7f58f21-2
0.423
MAK-UNK-27459e11-7
0.415
SIM-DEM-5935bd74-2
0.407
ANT-DIA-b7f58f21-1
0.404
MAK-UNK-27459e11-2
0.400
ANT-DIA-b7f58f21-3
0.392
MAK-UNK-27459e11-4
0.385
PET-SGC-85e821e4-1
0.377
MAK-UNK-c44f4be0-14
0.373
ANT-DIA-b7f58f21-6
0.371
MAK-UNK-27459e11-3
0.364
MAK-UNK-8145c7a0-12
0.364
ANT-DIA-b7f58f21-7
0.361
MAK-UNK-27459e11-1
0.357
ANT-DIA-b7f58f21-5
0.340
MAK-UNK-27459e11-13
0.321
SAD-SAT-1f400d17-7
0.305
MAR-UNI-9ca61fdc-1
0.299
ELE-IMP-dfb36048-5
0.286
MAK-UNK-27459e11-6
0.283
ELE-IMP-dfb36048-3
0.282
ROB-UNI-b2e39629-1
0.281
ANT-DIA-b7f58f21-8
0.281
SIM-DEM-5935bd74-1
0.279
PET-SGC-85e821e4-2
0.279
ROB-UNI-b2e39629-2
0.277
MAK-UNK-27459e11-12
0.276
ELE-IMP-dfb36048-4
0.273
MAK-UNK-c44f4be0-4
0.273
MAK-UNK-8145c7a0-11
0.270
ANT-DIA-b7f58f21-9
0.269
MAR-TRE-87acfbcc-44
0.265
MAK-UNK-27459e11-5
0.262
MAR-TRE-423310b6-30
0.261
MAK-UNK-07311286-2
0.261
ELE-IMP-dfb36048-2
0.260
CAL-AMP-9edebd8f-1
0.260
DUN-NEW-f8ce3686-10
0.260
PET-SGC-90aed325-1
0.258
BEN-DND-362d364a-6
0.258
BEN-DND-362d364a-9
0.257
HAN-NEW-5f56c3bc-2
0.257
ASH-UNK-40b46b30-6
0.257
ROB-UNI-b2e39629-9
0.256
AAR-POS-0daf6b7e-31
0.254
MAK-UNK-6435e6c2-7
0.254
MIH-UNI-6b9ca91a-6
0.254
SCO-VAN-260d9628-2
0.254
BEN-DND-362d364a-8
0.253
SIM-DEM-f31d0e65-1
0.253
ROB-UNI-b2e39629-4
0.253
SIM-DEM-5935bd74-4
0.250
PET-SGC-0ecb2cfe-1
0.250
KEN-ILL-f8fa3277-1
0.250
MAK-UNK-8145c7a0-10
0.250
JOK-SYG-a0b0bf84-1
0.246
SCO-VAN-260d9628-4
0.244
ADA-UNI-f8e79267-7
0.244
MAK-UNK-07311286-1
0.243
DRE-WAB-9b73098a-1
0.242
IND-SYN-8bc6954a-2
0.242
ANT-DIA-b7f58f21-4
0.241
MAK-UNK-194150d3-1
0.240
MAR-UCB-195bc32d-29
0.239
ROB-UNI-b2e39629-10
0.237
JOH-IMS-54aa76a2-4
0.237
PET-SGC-f818f65b-1
0.237
ELE-IMP-dfb36048-1
0.237
SIM-DEM-265738e1-1
0.237
TAM-UNI-c140e31a-15
0.237
SAM-UNK-903735bd-2
0.237
WIL-LEE-364b6ea8-20
0.236
SIM-DEM-5935bd74-7
0.235
JAN-GHE-6413aaf8-7
0.235
MAK-UNK-c44f4be0-9
0.235
WAR-XCH-6eb0722e-5
0.235
SAM-UNK-83e03154-2
0.235
MAK-UNK-c44f4be0-3
0.233
ROB-UNI-b2e39629-3
0.233
WIL-UNI-5578df48-14
0.233
MAK-UNK-8145c7a0-6
0.233
MAK-UNK-194150d3-11
0.232
WAR-XCH-6eb0722e-4
0.232
AND-WAB-6ed53ced-1
0.230
DUN-NEW-f8ce3686-14
0.230
SIM-DEM-5935bd74-5
0.230
MAR-TRE-1c920f6f-59
0.230
WAR-XCH-6eb0722e-1
0.229
ASH-UNK-40b46b30-2
0.229
AAR-POS-0daf6b7e-45
0.228
WIL-LEE-23e8b574-2
0.227
PET-SGC-abcbce68-1
0.227
NAU-LAT-f723e322-3
0.227
MAD-FNM-74857450-1
0.226
NEL-UNI-1464a899-6
0.226