Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1ccccc1CC(=N)N |
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-27459e11-8
0.569
ANT-DIA-b7f58f21-3
0.542
MAK-UNK-27459e11-9
0.490
MAK-UNK-27459e11-10
0.456
MAK-UNK-27459e11-16
0.415
ELE-IMP-dfb36048-5
0.400
AAR-POS-d2a4d1df-1
0.400
MAK-UNK-27459e11-15
0.390
PET-SGC-85e821e4-2
0.385
SIM-DEM-5935bd74-1
0.385
CAL-AMP-9edebd8f-1
0.377
DUN-NEW-f8ce3686-10
0.377
ELE-IMP-dfb36048-2
0.377
SIM-DEM-f31d0e65-1
0.366
ANT-DIA-b7f58f21-2
0.351
ANT-DIA-b7f58f21-8
0.349
ROB-UNI-b2e39629-1
0.349
MAK-UNK-27459e11-6
0.333
ANT-DIA-b7f58f21-1
0.333
MAK-UNK-27459e11-13
0.328
MAR-UNI-9ca61fdc-1
0.324
MAK-UNK-27459e11-3
0.322
ANT-DIA-b7f58f21-5
0.321
WAR-XCH-6eb0722e-5
0.321
MAK-UNK-27459e11-1
0.317
WAR-XCH-6eb0722e-4
0.316
MAK-UNK-27459e11-4
0.316
ASH-UNK-40b46b30-6
0.315
WAR-XCH-6eb0722e-1
0.312
ELE-IMP-dfb36048-4
0.312
MAK-UNK-27459e11-2
0.311
ELE-IMP-dfb36048-3
0.304
PET-SGC-0ecb2cfe-1
0.304
ROB-UNI-b2e39629-2
0.303
PET-SGC-90aed325-1
0.303
BEN-DND-362d364a-6
0.303
BEN-DND-362d364a-9
0.300
MAK-UNK-8145c7a0-10
0.299
HAN-NEW-5f56c3bc-2
0.297
MAK-UNK-c44f4be0-3
0.295
ROB-UNI-b2e39629-9
0.295
ANT-DIA-b7f58f21-6
0.294
ROB-UNI-b2e39629-4
0.293
BEN-DND-362d364a-8
0.293
SAM-UNK-903735bd-2
0.293
SIM-DEM-265738e1-1
0.293
ELE-IMP-dfb36048-1
0.293
PET-SGC-f818f65b-1
0.293
TAM-UNI-c140e31a-15
0.293
ROB-UNI-b2e39629-10
0.291
ANT-DIA-b7f58f21-9
0.291
MAK-UNK-27459e11-5
0.290
DRE-WAB-9b73098a-1
0.288
JAN-GHE-6413aaf8-7
0.286
ANT-DIA-b7f58f21-7
0.284
SIM-DEM-5935bd74-2
0.284
MAK-UNK-27459e11-12
0.283
SCO-VAN-260d9628-4
0.280
PET-SGC-85e821e4-1
0.279
MAD-FNM-74857450-1
0.277
DUN-NEW-f8ce3686-4
0.276
BEN-DND-362d364a-7
0.275
DUN-NEW-f8ce3686-5
0.275
ROB-UNI-b2e39629-3
0.274
SAM-UNK-83e03154-2
0.272
ROB-UNI-b2e39629-5
0.272
ERI-WAB-212bafa6-1
0.270
ERI-WAB-212bafa6-2
0.266
SER-UNI-985a0e14-1
0.264
SCO-VAN-260d9628-2
0.261
MAR-TRE-66ac689e-30
0.260
SIM-DEM-5935bd74-3
0.260
TRY-UNI-1fd04853-3
0.259
WAR-XCH-6eb0722e-3
0.253
SHR-UNK-cde60afe-1
0.250
HUB-UNK-9845d277-2
0.250
WAR-XCH-6eb0722e-6
0.247
ANT-OPE-81f9835f-1
0.246
JUA-UNI-b93289a4-3
0.246
WAR-XCH-6eb0722e-2
0.244
ADA-UNI-f8e79267-2
0.244
MIH-UNI-e573136b-5
0.243
JAR-KUA-41bd5a3d-12
0.243
WAL-WAB-c1441da0-1
0.242
ADA-UNI-f8e79267-1
0.241
WAR-XCH-79d12f6e-11
0.240
NAU-LAT-0543f7f2-4
0.239
HUB-UNK-9845d277-1
0.239
ASH-UNK-40b46b30-3
0.237
AND-WAB-6ed53ced-1
0.237
ERI-WAB-56c49854-1
0.235
JUA-UNI-b93289a4-2
0.235
SAN-PRS-3c4a6997-2
0.235
MAK-UNK-c44f4be0-14
0.233
SAM-UNI-7fd13e32-1
0.232
ZAC-WAB-d55a3c2e-2
0.232
ZAC-WAB-3baddbb3-1
0.232
SEL-UNI-cd366922-2
0.230
JOH-MSK-ec639444-3
0.229
WIL-LEE-1f71e281-7
0.229