Molecular Properties | |
SMILES: | N=C(N)S(=O)(=O)NCCc1ccccc1 |
MW: | 227.289 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 96.04 |
cLogP: | 0.0419700000000005 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Hetero_hetero
MAK-UNK-27459e11-3
0.596
MAK-UNK-27459e11-1
0.583
MAK-UNK-27459e11-2
0.571
AAR-POS-d2a4d1df-1
0.558
MIH-UNI-6b9ca91a-6
0.436
ANT-DIA-b7f58f21-4
0.426
MAK-UNK-07311286-1
0.403
MAK-UNK-07311286-2
0.403
MAK-UNK-27459e11-16
0.385
MAK-UNK-c44f4be0-9
0.382
MAK-UNK-27459e11-9
0.377
MAK-UNK-27459e11-15
0.362
MAK-UNK-b2c98f02-6
0.360
ALE-UNK-fca05062-4
0.351
MAK-UNK-194150d3-1
0.348
MAK-UNK-31051d4e-2
0.347
MAK-UNK-27459e11-12
0.345
MAK-UNK-f983951f-13
0.340
MAK-UNK-31051d4e-4
0.338
MAK-UNK-31051d4e-6
0.338
MAK-UNK-31051d4e-1
0.333
MAK-UNK-27459e11-10
0.333
DUN-NEW-f8ce3686-23
0.333
MAK-UNK-c44f4be0-5
0.329
MAK-UNK-b2c98f02-5
0.329
MAK-UNK-194150d3-11
0.329
SUG-SAT-4be79373-3
0.329
MAK-UNK-31051d4e-3
0.329
SUG-SAT-4be79373-2
0.329
MAK-UNK-27459e11-5
0.328
MAK-UNK-194150d3-6
0.327
MAK-UNK-c44f4be0-7
0.325
MAK-UNK-8145c7a0-2
0.325
MAK-UNK-194150d3-8
0.323
MAK-UNK-194150d3-16
0.323
ANT-DIA-b7f58f21-2
0.321
MAK-UNK-b2c98f02-2
0.321
MAK-UNK-c44f4be0-6
0.321
MAK-UNK-b2c98f02-7
0.321
MAK-UNK-31051d4e-5
0.321
MAK-UNK-194150d3-7
0.319
MAK-UNK-8145c7a0-5
0.316
MAK-UNK-b2c98f02-3
0.316
MAK-UNK-27459e11-7
0.316
MAK-UNK-194150d3-10
0.316
SUG-SAT-4be79373-5
0.316
ANT-DIA-b7f58f21-3
0.315
MAK-UNK-c44f4be0-2
0.314
MAK-UNK-c44f4be0-8
0.313
MAK-UNK-b2c98f02-9
0.312
MAK-UNK-194150d3-12
0.312
ALE-UNK-fca05062-3
0.312
MAK-UNK-8145c7a0-1
0.312
MAK-UNK-b2c98f02-1
0.312
MAK-UNK-8145c7a0-3
0.312
SUG-SAT-4be79373-4
0.312
NEL-UNI-1464a899-4
0.310
MAK-UNK-8145c7a0-6
0.309
SUG-SAT-4be79373-1
0.308
MAK-UNK-27459e11-8
0.305
MAK-UNK-8145c7a0-7
0.305
MAK-UNK-b2c98f02-4
0.305
MAK-UNK-194150d3-3
0.303
MAK-UNK-8145c7a0-4
0.301
MAK-UNK-c44f4be0-1
0.299
MAK-UNK-27459e11-13
0.298
JAY-JBL-db550ec5-2
0.293
MAK-UNK-b2c98f02-8
0.291
JAY-JBL-db550ec5-1
0.288
MAK-UNK-194150d3-13
0.286
NAU-LAT-445f63e5-1
0.286
MAK-UNK-194150d3-2
0.286
MAK-UNK-27459e11-6
0.283
MAK-UNK-194150d3-5
0.282
IND-SYN-8bc6954a-2
0.281
ANT-DIA-b7f58f21-1
0.281
MAR-TRE-0fda4e82-1
0.276
MAK-UNK-f983951f-5
0.276
MAK-UNK-194150d3-14
0.274
DAN-MCD-1a622181-1
0.271
DAN-MCD-9950a804-1
0.271
MAT-POS-ea426761-3
0.271
DAN-MCD-34fd4f29-1
0.271
DUN-NEW-f8ce3686-25
0.270
BEN-DND-362d364a-1
0.268
SAD-SAT-65574d3f-3
0.268
MAK-UNK-194150d3-4
0.267
MAK-UNK-10dfa458-39
0.265
MAK-UNK-15efde89-1
0.262
SAD-SAT-2fd372d1-2
0.262
MAR-TRE-6a44bbf2-9
0.261
MAK-UNK-194150d3-15
0.260
MAT-POS-b5746674-58
0.260
MAT-POS-b5746674-8
0.259
DRA-CSI-47e38074-5
0.259
AAR-UNI-c25c2f1e-100
0.257
MAR-TRE-0fda4e82-24
0.256
SAD-SAT-6b5a89f0-8
0.255
MAR-TRE-d3c2bf0e-11
0.254
MAK-UNK-af83ef51-2
0.254