Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccc(CC(=N)N)cc1 |
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-27459e11-16
0.622
MAK-UNK-27459e11-10
0.558
AAR-POS-d2a4d1df-1
0.511
MAK-UNK-27459e11-7
0.490
MAK-UNK-27459e11-15
0.455
MAK-UNK-27459e11-8
0.418
ANT-DIA-b7f58f21-2
0.415
ANT-DIA-b7f58f21-3
0.412
ANT-DIA-b7f58f21-1
0.396
MAK-UNK-27459e11-3
0.382
MAK-UNK-27459e11-4
0.377
SIM-DEM-5935bd74-2
0.377
ANT-DIA-b7f58f21-7
0.377
MAK-UNK-27459e11-1
0.375
PET-SGC-85e821e4-1
0.371
MAK-UNK-27459e11-2
0.368
ANT-DIA-b7f58f21-6
0.365
MAR-UNI-9ca61fdc-1
0.354
MAK-UNK-c44f4be0-14
0.351
MAK-UNK-8145c7a0-12
0.325
SIM-DEM-5935bd74-1
0.313
PET-SGC-85e821e4-2
0.313
ANT-DIA-b7f58f21-5
0.309
ELE-IMP-dfb36048-5
0.302
MAK-UNK-27459e11-6
0.300
ROB-UNI-b2e39629-1
0.297
ANT-DIA-b7f58f21-8
0.297
MAK-UNK-27459e11-13
0.293
SAD-SAT-1f400d17-7
0.279
MAK-UNK-27459e11-5
0.279
ELE-IMP-dfb36048-3
0.278
MAK-UNK-07311286-2
0.275
DUN-NEW-f8ce3686-10
0.274
CAL-AMP-9edebd8f-1
0.274
ELE-IMP-dfb36048-2
0.274
ROB-UNI-b2e39629-2
0.273
PET-SGC-90aed325-1
0.273
BEN-DND-362d364a-6
0.273
BEN-DND-362d364a-9
0.271
MAK-UNK-27459e11-12
0.271
ASH-UNK-40b46b30-6
0.270
MAK-UNK-c44f4be0-4
0.270
SIM-DEM-f31d0e65-1
0.267
ANT-DIA-b7f58f21-9
0.266
SAM-UNK-83e03154-2
0.263
MAK-UNK-c44f4be0-3
0.258
DRE-WAB-9b73098a-1
0.258
MAR-TRE-423310b6-30
0.257
MAK-UNK-07311286-1
0.257
WIL-LEE-364b6ea8-20
0.255
HAN-NEW-5f56c3bc-2
0.253
ROB-UNI-b2e39629-9
0.253
ELE-IMP-dfb36048-4
0.253
MAK-UNK-8145c7a0-11
0.253
ROB-UNI-b2e39629-4
0.250
TAM-UNI-c140e31a-15
0.250
BEN-DND-362d364a-8
0.250
ROB-UNI-b2e39629-10
0.250
MIH-UNI-6b9ca91a-6
0.250
SAM-UNK-903735bd-2
0.250
ELE-IMP-dfb36048-1
0.250
SIM-DEM-265738e1-1
0.250
PET-SGC-f818f65b-1
0.250
MAK-UNK-c44f4be0-9
0.247
WAR-XCH-6eb0722e-5
0.247
PET-SGC-0ecb2cfe-1
0.247
DUN-NEW-f8ce3686-23
0.247
ROB-UNI-b2e39629-3
0.247
WAR-XCH-6eb0722e-4
0.244
JOK-SYG-a0b0bf84-1
0.243
MAR-TRE-87acfbcc-44
0.243
WIL-LEE-23e8b574-2
0.242
NEL-UNI-1464a899-6
0.242
WAR-XCH-6eb0722e-1
0.241
SCO-VAN-260d9628-4
0.241
ANT-OPE-47f3bb65-2
0.239
IND-SYN-8bc6954a-2
0.239
MAD-FNM-74857450-1
0.238
MAK-UNK-194150d3-1
0.237
ANT-DIA-b7f58f21-4
0.236
WIL-LEE-1f71e281-7
0.235
TRY-UNI-1fd04853-3
0.235
WAL-WAB-c1441da0-1
0.235
BEN-DND-362d364a-7
0.235
JOH-IMS-54aa76a2-4
0.233
JAN-GHE-6413aaf8-7
0.233
SIM-DEM-5935bd74-7
0.232
SCO-VAN-260d9628-2
0.232
ROB-UNI-b2e39629-5
0.232
ASH-UNK-40b46b30-11
0.231
NEL-UNI-1464a899-7
0.231
MAK-UNK-c44f4be0-7
0.230
WIL-UNI-5578df48-14
0.230
SIM-DEM-5935bd74-4
0.229
MAK-UNK-acefcb18-8
0.229
MAK-UNK-c44f4be0-6
0.227
DUN-NEW-f8ce3686-14
0.227
MAR-TRE-1c920f6f-59
0.226
DUN-NEW-f8ce3686-5
0.226
NEL-UNI-1464a899-5
0.226