Molecular Properties | |
SMILES: | N=C(N)CS(=O)(=O)NCCc1ccccc1 |
MW: | 241.316 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 96.04 |
cLogP: | 0.0844700000000007 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Long aliphatic chain
Hetero_hetero
MAK-UNK-27459e11-1
0.717
MAK-UNK-27459e11-4
0.596
MAK-UNK-27459e11-2
0.538
AAR-POS-d2a4d1df-1
0.522
MIH-UNI-6b9ca91a-6
0.414
ANT-DIA-b7f58f21-4
0.400
MAK-UNK-07311286-2
0.385
MAK-UNK-07311286-1
0.385
MAK-UNK-c44f4be0-8
0.383
MAK-UNK-27459e11-9
0.382
MAK-UNK-27459e11-16
0.364
MAK-UNK-27459e11-10
0.361
DUN-NEW-f8ce3686-23
0.355
MAK-UNK-31051d4e-1
0.355
MAK-UNK-8145c7a0-1
0.350
MAK-UNK-f983951f-13
0.345
MAK-UNK-27459e11-15
0.344
MAK-UNK-8145c7a0-5
0.338
MAK-UNK-27459e11-5
0.333
MAK-UNK-31051d4e-2
0.333
SUG-SAT-4be79373-2
0.333
ALE-UNK-fca05062-4
0.333
MAK-UNK-31051d4e-3
0.333
MAK-UNK-194150d3-1
0.333
MAK-UNK-b2c98f02-6
0.329
MAK-UNK-27459e11-12
0.328
MAK-UNK-31051d4e-4
0.325
MAK-UNK-27459e11-7
0.322
ALE-UNK-fca05062-3
0.318
MAK-UNK-c44f4be0-9
0.317
SUG-SAT-4be79373-4
0.316
SUG-SAT-4be79373-3
0.316
MAK-UNK-194150d3-11
0.316
SUG-SAT-4be79373-1
0.312
MAK-UNK-194150d3-6
0.310
MAK-UNK-b2c98f02-7
0.310
MAK-UNK-8145c7a0-7
0.310
MAK-UNK-c44f4be0-6
0.310
MAK-UNK-31051d4e-5
0.309
MAK-UNK-31051d4e-6
0.309
MAK-UNK-8145c7a0-4
0.306
ANT-DIA-b7f58f21-2
0.305
MAK-UNK-b2c98f02-3
0.305
SUG-SAT-4be79373-5
0.304
MAK-UNK-b2c98f02-1
0.301
MAK-UNK-8145c7a0-3
0.301
MAK-UNK-c44f4be0-5
0.301
MAK-UNK-b2c98f02-9
0.301
MAK-UNK-b2c98f02-5
0.301
MAK-UNK-194150d3-10
0.300
MAT-POS-b5746674-58
0.299
MAK-UNK-194150d3-12
0.299
MAK-UNK-8145c7a0-6
0.298
MAK-UNK-8145c7a0-2
0.298
MAK-UNK-c44f4be0-7
0.298
NEL-UNI-1464a899-4
0.295
MAK-UNK-b2c98f02-4
0.294
MAK-UNK-b2c98f02-2
0.294
NAU-LAT-445f63e5-1
0.292
MAK-UNK-194150d3-13
0.292
MAK-UNK-27459e11-8
0.290
MAK-UNK-27459e11-6
0.290
MAK-UNK-194150d3-8
0.290
MAK-UNK-194150d3-3
0.290
MAK-UNK-c44f4be0-1
0.289
MAK-UNK-c44f4be0-2
0.289
MAK-UNK-194150d3-16
0.288
MAK-UNK-194150d3-7
0.288
MAK-UNK-27459e11-13
0.283
MAR-TRE-0fda4e82-1
0.282
MAK-UNK-b2c98f02-8
0.281
JAY-JBL-db550ec5-2
0.279
MAK-UNK-194150d3-14
0.278
ANT-DIA-b7f58f21-3
0.276
BEN-DND-362d364a-1
0.274
JAY-JBL-db550ec5-1
0.273
MAK-UNK-194150d3-2
0.273
MAK-UNK-194150d3-5
0.270
SAD-SAT-2fd372d1-2
0.269
IND-SYN-8bc6954a-2
0.269
ANT-DIA-b7f58f21-1
0.267
MAK-UNK-194150d3-15
0.267
MAT-POS-b5746674-62
0.266
SAD-SAT-6b5a89f0-8
0.264
AAR-UNI-c25c2f1e-100
0.264
MAK-UNK-f983951f-5
0.262
MAR-TRE-0fda4e82-24
0.262
DAN-MCD-1a622181-1
0.261
MAT-POS-ea426761-3
0.261
DAN-MCD-34fd4f29-1
0.261
DAN-MCD-9950a804-1
0.261
MAK-UNK-194150d3-17
0.260
DUN-NEW-f8ce3686-25
0.260
MAK-UNK-194150d3-4
0.256
SAD-SAT-65574d3f-3
0.254
MAK-UNK-10dfa458-39
0.254
MAR-TRE-6a44bbf2-9
0.250
MAK-UNK-15efde89-1
0.250
MAR-TRE-0fda4e82-52
0.246
DRA-CSI-47e38074-5
0.246