Molecular Properties | |
SMILES: | CN(C)c1ccc(C2CC(c3cccs3)=NN2C(=O)CCl)cc1 |
MW: | 347.09 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 35.91 |
cLogP: | 3.73 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6085966622 |
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (5)
anil_di_alk_D(198)
MAT-POS-916a2c5a-1
0.597
NIM-UNI-13494739-9
0.588
TAT-ENA-80bfd3e5-9
0.541
NIM-UNI-13494739-4
0.541
NIM-UNI-13494739-10
0.533
MAR-LAB-efb042c5-1
0.468
NIM-UNI-13494739-8
0.450
NIM-UNI-13494739-3
0.448
MAR-LAB-ff9967db-36
0.447
JOH-MR_-42fa5481-10
0.437
JOH-MR_-42fa5481-5
0.414
NIM-UNI-13494739-1
0.411
NIM-UNI-13494739-6
0.402
JOH-MR_-42fa5481-7
0.398
TAT-ENA-80bfd3e5-5
0.395
TAT-ENA-80bfd3e5-17
0.393
NIM-UNI-13494739-7
0.393
MAR-LAB-ff9967db-37
0.390
JOH-MR_-42fa5481-4
0.380
MED-COV-4280ac29-30
0.375
UNK-UNK-2ede4078-67
0.372
TAT-ENA-80bfd3e5-45
0.370
MAT-POS-fa06b69f-7
0.370
JOH-MR_-42fa5481-6
0.364
JOH-MR_-42fa5481-3
0.363
NIM-UNI-13494739-5
0.348
JOH-MR_-42fa5481-2
0.348
JOH-MR_-42fa5481-9
0.348
MAR-LAB-efb042c5-3
0.348
JOH-MR_-42fa5481-12
0.330
JOH-MR_-42fa5481-11
0.330
JOH-MR_-42fa5481-13
0.326
JOH-MR_-42fa5481-14
0.326
JOH-MR_-42fa5481-1
0.323
UNK-UNK-2ede4078-77
0.322
NIM-UNI-13494739-2
0.322
LON-WEI-120e5cf5-5
0.309
NIM-UNI-13494739-12
0.307
NIM-UNI-13494739-11
0.304
TAT-ENA-80bfd3e5-15
0.299
JAR-KUA-8c13982c-11
0.283
SAD-SAT-29425be4-19
0.283
MAT-POS-b5746674-92
0.276
MAK-UNK-3e0761f8-8
0.276
LON-WEI-8f408cad-5
0.275
AAR-POS-0daf6b7e-17
0.275
NAU-LAT-64f4b287-3
0.272
UNK-UNK-2ede4078-68
0.267
AAR-POS-0daf6b7e-16
0.266
MAK-UNK-987948f6-15
0.262
AAR-POS-d2a4d1df-22
0.256
MAR-TRE-6a44bbf2-52
0.256
LON-WEI-8f408cad-3
0.256
MAK-UNK-5d2caa6f-7
0.255
BEN-DND-76ad4ac9-1
0.253
JOH-MR_-42fa5481-8
0.247
MAK-UNK-3f402c2b-25
0.247
NAU-LAT-64f4b287-4
0.245
GIA-UNK-20b63697-5
0.242
JOK-SYG-8934678c-1
0.242
NIM-UNI-310206f0-6
0.241
UNK-UNK-2ede4078-58
0.240
MAK-UNK-3f402c2b-26
0.239
DUN-NEW-f8ce3686-22
0.239
THO-SYG-f9b2970d-8
0.238
SAD-SAT-f2e2579e-8
0.238
SAD-SAT-d8079f6f-8
0.236
MAT-POS-b5746674-89
0.236
NIR-THE-0d6461ce-12
0.235
THO-SYG-f9b2970d-4
0.235
NIM-UNI-05f93fcc-13
0.234
COM-UCB-1ef4e90e-11
0.234
FAB-UNK-2931f40a-1
0.234
JOH-UNI-27ac80fd-29
0.233
BEN-DND-03406596-5
0.233
BEN-DND-76ad4ac9-13
0.233
MAK-UNK-3f402c2b-1
0.233
MED-COV-4280ac29-25
0.232
ALP-POS-87c86d55-1
0.231
VIK-SYN-9a3d118a-8
0.231
ALP-POS-8ed8d9ec-7
0.231
PET-UNK-7374c256-1
0.231
KRI-MAR-d2e3ef86-21
0.230
ALP-POS-6d04362c-1
0.230
THO-SYG-f9b2970d-3
0.230
MAK-UNK-af83ef51-2
0.230
MED-COV-4280ac29-4
0.229
NIR-THE-0d6461ce-11
0.229
GIA-UNK-20b63697-2
0.228
GIA-UNK-20b63697-3
0.228
MAK-UNK-987948f6-2
0.228
JOK-SYG-18591e8f-1
0.227
ALP-POS-bad7201a-15
0.226
SAD-SAT-29425be4-8
0.226
CHO-MSK-00c5269a-3
0.226
ALP-POS-6d04362c-2
0.226
GIA-UNK-20b63697-8
0.226
NAU-LAT-64f4b287-5
0.226
SAD-SAT-29425be4-16
0.225
SAD-SAT-29425be4-27
0.225