Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cccc(CC(=N)N)c1 |
MW: | 255.343 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 96.04 |
cLogP: | 0.25677 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Hetero_hetero
MAK-UNK-27459e11-15
0.582
MAK-UNK-27459e11-9
0.558
ANT-DIA-b7f58f21-2
0.547
MAK-UNK-27459e11-16
0.481
MAK-UNK-27459e11-7
0.456
AAR-POS-d2a4d1df-1
0.442
SIM-DEM-5935bd74-2
0.400
ANT-DIA-b7f58f21-1
0.397
MAK-UNK-27459e11-8
0.393
ANT-DIA-b7f58f21-3
0.386
PET-SGC-85e821e4-1
0.373
ANT-DIA-b7f58f21-6
0.368
MAK-UNK-27459e11-3
0.361
ANT-DIA-b7f58f21-7
0.358
MAK-UNK-27459e11-1
0.355
PET-SGC-85e821e4-2
0.338
SIM-DEM-5935bd74-1
0.338
MAK-UNK-27459e11-4
0.333
MAK-UNK-8145c7a0-11
0.330
CHA-MCP-85291e1d-1
0.329
CHA-MCP-85291e1d-7
0.329
MAK-UNK-27459e11-2
0.328
MAR-UNI-9ca61fdc-1
0.319
MAK-UNK-c44f4be0-4
0.319
CHA-MCP-85291e1d-3
0.316
ELE-IMP-dfb36048-5
0.309
MAK-UNK-27459e11-6
0.308
JOR-WAB-5f511e4e-1
0.306
ANT-DIA-b7f58f21-8
0.304
ROB-UNI-b2e39629-1
0.304
MAK-UNK-27459e11-5
0.288
ELE-IMP-dfb36048-3
0.286
WIL-LEE-23e8b574-3
0.284
DUN-NEW-f8ce3686-10
0.282
ELE-IMP-dfb36048-2
0.282
CAL-AMP-9edebd8f-1
0.282
ROB-UNI-b2e39629-2
0.282
MAK-UNK-27459e11-12
0.281
MAK-UNK-27459e11-13
0.281
BEN-DND-362d364a-9
0.280
CHA-MCP-85291e1d-6
0.278
ELE-IMP-dfb36048-4
0.277
ANT-DIA-b7f58f21-5
0.274
ANT-DIA-b7f58f21-9
0.274
CHA-MCP-85291e1d-5
0.273
MAT-POS-8feb6e35-1
0.271
JOK-SYG-a0b0bf84-1
0.270
DUN-NEW-f8ce3686-14
0.269
MAK-UNK-07311286-2
0.267
JAN-GHE-1d98ec1c-2
0.267
BEN-DND-362d364a-6
0.264
PET-SGC-90aed325-1
0.264
MIC-UNK-4fbd4db9-5
0.263
ASH-UNK-40b46b30-6
0.263
HAN-NEW-5f56c3bc-2
0.263
ROB-UNI-b2e39629-9
0.262
SIM-DEM-5935bd74-7
0.260
SIM-DEM-f31d0e65-1
0.259
SIM-DEM-265738e1-1
0.259
TAM-UNI-c140e31a-15
0.259
PET-SGC-f818f65b-1
0.259
SAM-UNK-903735bd-2
0.259
ELE-IMP-dfb36048-1
0.259
BEN-DND-362d364a-8
0.259
ROB-UNI-b2e39629-4
0.259
ROB-UNI-b2e39629-10
0.259
MAT-POS-90fd5f68-12
0.258
MAT-POS-90fd5f68-30
0.258
EDG-MED-0da5ad92-21
0.257
ROB-UNI-b2e39629-3
0.256
WAR-XCH-6eb0722e-5
0.256
SAM-UNK-83e03154-2
0.256
MAK-UNK-8145c7a0-12
0.256
PET-UNK-c6bcc80b-7
0.256
RAF-POL-b61b4b25-9
0.253
ADA-UNI-f8e79267-8
0.253
WAR-XCH-6eb0722e-4
0.253
SUG-SAT-4be79373-4
0.253
DRE-WAB-9b73098a-1
0.250
JAG-UCB-ef2c0e8e-8
0.250
EDJ-MED-e58735b6-2
0.250
WAR-XCH-6eb0722e-1
0.250
RUB-POS-1325a9ea-24
0.250
MAK-UNK-c44f4be0-2
0.247
DUN-NEW-f8ce3686-5
0.247
MAD-FNM-74857450-1
0.247
MAK-UNK-c44f4be0-14
0.247
MAT-POS-90fd5f68-9
0.247
WIL-LEE-1f71e281-7
0.247
PET-UNK-7fb4f80a-2
0.244
SEL-UNI-cd366922-9
0.244
MAT-POS-0bc33984-1
0.244
SCO-VAN-260d9628-2
0.243
ALP-POS-8b8a49e1-5
0.243
VLA-UNK-411a133b-2
0.243
ALP-POS-90e38439-3
0.243
MIC-UNK-fc94cdb5-1
0.243
JAG-UCB-ef2c0e8e-5
0.243
MIC-UNK-42806bd5-2
0.243
JAN-GHE-5a013bed-1
0.243