Molecular Properties | |
SMILES: | CCN(CC)c1ccc(CNC(=O)Nn2cnc3ccccc32)cc1 |
MW: | 337.19 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 62.19 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z753334946 |
Mcule: | MCULE-1132544939 |
Singel acyclic N-N bonds
N,N-Dialkyl aniline derivatives (4)
N,N-Dialkyl aniline derivatives (5)
anil_di_alk_D(198)
AAR-POS-d2a4d1df-1
BAR-COM-0f94fc3d-42
0.524
BAR-COM-0f94fc3d-12
0.420
KRI-MAR-d2e3ef86-2
0.418
JAN-GHE-5a013bed-2
0.415
JAN-GHE-f4ca5a00-9
0.407
ALP-POS-bad7201a-7
0.404
ALP-POS-a3de0cb1-7
0.400
MAT-POS-06036648-8
0.398
MAT-POS-3b92565d-10
0.393
BAR-COM-0f94fc3d-8
0.389
MAT-POS-3b92565d-11
0.389
ALP-POS-8ed8d9ec-9
0.388
BAR-COM-0f94fc3d-24
0.375
JAN-GHE-f4ca5a00-7
0.375
BAR-COM-0f94fc3d-29
0.371
ALP-POS-bad7201a-8
0.370
BAR-COM-0f94fc3d-32
0.362
ALP-POS-8ed8d9ec-3
0.360
BAR-COM-0f94fc3d-37
0.351
JAN-GHE-f4ca5a00-1
0.351
ALP-POS-8ed8d9ec-14
0.346
ALP-POS-a3de0cb1-12
0.343
JAN-GHE-f4ca5a00-3
0.337
MAT-POS-c478e61b-1
0.330
MAT-POS-3b92565d-12
0.330
TAT-ENA-80bfd3e5-33
0.318
AAR-POS-8a4e0f60-4
0.316
MAT-POS-c478e61b-2
0.313
AAR-UNI-c25c2f1e-5
0.293
AAR-POS-8a4e0f60-6
0.284
MAR-TRE-74c6519b-73
0.278
TAT-ENA-80bfd3e5-19
0.278
ALP-POS-bad7201a-4
0.277
MAT-POS-06036648-7
0.275
JAN-GHE-f4ca5a00-10
0.265
JAN-GHE-5a013bed-3
0.263
PET-UNK-7374c256-1
0.262
ALP-POS-8ed8d9ec-7
0.262
MAR-TRE-3e4e6814-5
0.258
AAR-UNI-c25c2f1e-64
0.255
MAR-TRE-b77b7921-54
0.255
EDJ-MED-06d94977-1
0.253
JAN-GHE-f4ca5a00-8
0.253
AAR-UNI-c25c2f1e-51
0.250
MAT-POS-162a9720-10
0.250
MAR-TRE-f6f5f473-21
0.250
LIZ-THE-57c545eb-1
0.250
MAR-LAB-ff9967db-10
0.248
MAT-POS-3b92565d-13
0.247
MAT-POS-06036648-3
0.245
MAR-TRE-f6f5f473-43
0.245
MAR-TRE-f6f5f473-66
0.245
BEN-DND-61647d40-13
0.245
BEN-DND-02317c5c-11
0.245
JIN-POS-6dc588a4-1
0.245
ALP-POS-bad7201a-14
0.243
MAR-TRE-a9136c7b-45
0.242
ALP-POS-87c86d55-2
0.241
ALP-POS-a3de0cb1-1
0.241
MAR-TRE-4b834d9a-5
0.241
MAR-TRE-4b834d9a-18
0.241
WIL-UNI-2a57d06c-47
0.240
MAR-TRE-74c6519b-5
0.239
ALP-POS-a1bdc92a-1
0.238
MAR-TRE-f6f5f473-34
0.238
MAT-POS-06036648-5
0.238
ALP-POS-6d04362c-1
0.238
MAR-TRE-4b834d9a-39
0.238
RAL-THA-4a5dabff-8
0.237
MAR-TRE-fd17a9b8-51
0.236
MAR-TRE-3e4e6814-14
0.236
MAR-TRE-74c6519b-6
0.236
IAN-BAS-5394d4c4-1
0.235
MAR-TRE-b77b7921-4
0.234
MAR-LAB-ca4662a6-7
0.233
MAR-TRE-799db12b-35
0.233
AAR-UNI-c25c2f1e-59
0.233
MAR-TRE-c8530538-26
0.233
SAD-SAT-135344c3-2
0.232
ROB-IMP-e811baff-1
0.232
MAT-GRU-7002a1a0-1
0.231
MAT-POS-06036648-1
0.231
ALP-POS-c59291d4-2
0.230
BAR-COM-0f94fc3d-57
0.230
PET-UNK-1901c25b-2
0.229
MAR-TRE-f6f5f473-88
0.229
MAR-LAB-ca4662a6-8
0.229
JAN-GHE-74b8b0cb-2
0.229
DAR-DIA-093892e4-7
0.229
BEN-DND-61647d40-3
0.228
MAT-POS-c79fcd02-1
0.227
MAR-TRE-04c86cea-2
0.227
MAR-TRE-04c86cea-56
0.227
ALP-POS-87c86d55-1
0.226
MAR-TRE-4b834d9a-4
0.225
MAR-TRE-3e4e6814-11
0.225
MAR-TRE-4b834d9a-11
0.225
MAR-TRE-04c86cea-4
0.225
UNK-UNK-2ede4078-66
0.225
MAK-UNK-f983951f-26
0.225