Molecular Properties | |
SMILES: | Cc1ccc(N2CCN(CCNC(=O)NCc3ccccn3)CC2)cc1 |
MW: | 353.47 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 60.5 |
cLogP: | 2.01142 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (5)
Long aliphatic chain
AAR-POS-d2a4d1df-11
TRI-UNI-97428359-1
0.775
TRI-UNI-97428359-3
0.750
AAR-UNI-c25c2f1e-54
0.398
LON-WEI-4d77710c-49
0.344
LON-WEI-5e7d1b3e-49
0.344
AAR-UNI-c25c2f1e-98
0.340
JUL-TUD-06b2044f-155
0.333
DRR-IMP-38dce17f-5
0.333
MAR-TRE-3e4e6814-25
0.321
MAR-TRE-3159af1a-20
0.298
MAT-POS-b5746674-68
0.296
CAT-CEN-91a3f3b0-1
0.293
DAN-MCD-52f1549c-1
0.292
DAN-MCD-8aee1169-1
0.292
SAD-SAT-5b1897b2-3
0.289
AAR-POS-0daf6b7e-18
0.289
MAR-TRE-d0525fbf-96
0.287
STE-KUL-2e0d2e88-1
0.281
STE-KUL-2e0d2e88-3
0.280
MAR-TRE-fd17a9b8-70
0.279
ANT-DIA-045cfdc4-4
0.278
MAR-TRE-e86a56b5-33
0.277
EDJ-MED-f073a5ff-3
0.275
MAR-TRE-fd17a9b8-31
0.275
JON-UIO-066ce08b-3
0.274
MAR-TRE-74c6519b-39
0.274
MAR-SOS-82e3a7c7-6
0.271
MAR-SOS-c7881798-6
0.271
IAN-BAS-36ca50f1-1
0.270
MAR-TRE-04c86cea-3
0.270
SIM-DEM-2843056b-3
0.269
MAT-POS-2492181e-2
0.268
STE-KUL-2e0d2e88-2
0.268
SIM-DEM-2843056b-7
0.264
UNK-UNK-2ede4078-53
0.263
MAR-TRE-3e4e6814-26
0.261
NIM-UNI-310206f0-15
0.259
BEN-DND-93268d01-4
0.258
UNK-UNK-2ede4078-11
0.257
MAK-UNK-acefcb18-20
0.257
ALP-POS-a3de0cb1-11
0.256
MAK-UNK-7c9d1431-21
0.256
DRA-CSI-0a78d9ba-13
0.255
MAT-POS-162a9720-4
0.253
MAR-LAB-ca4662a6-5
0.253
MAR-TRE-c8530538-47
0.252
MAR-TRE-f6f5f473-55
0.252
MAR-SOS-82e3a7c7-8
0.252
MAR-SOS-c7881798-5
0.252
MAR-SOS-82e3a7c7-7
0.252
MAR-SOS-c7881798-8
0.252
WAR-XCH-b6889685-25
0.250
MAR-TRE-c8530538-79
0.250
SIM-DEM-2843056b-6
0.250
MAR-TRE-3e4e6814-13
0.248
BAR-COM-4e090d3a-54
0.248
BAR-COM-0f94fc3d-33
0.248
MAR-TRE-f5c2d31c-96
0.245
AAR-UNI-c25c2f1e-17
0.245
NIM-UNI-ed9fc491-2
0.245
RIC-ARG-a8e88843-1
0.245
MAR-TRE-fd17a9b8-95
0.245
MAR-TRE-6a44bbf2-12
0.244
WAR-XCH-b6889685-15
0.242
SAD-SAT-5b1897b2-4
0.241
MAT-POS-162a9720-5
0.241
MAR-TRE-04c86cea-24
0.241
MAR-TRE-67513f76-19
0.241
MAR-TRE-f6f5f473-34
0.241
MAT-POS-b5746674-109
0.241
MAT-POS-2492181e-11
0.241
LON-WEI-4d77710c-16
0.241
LON-WEI-5e7d1b3e-16
0.241
BAR-COM-4e090d3a-17
0.241
MAR-TRE-04c86cea-70
0.239
NIM-UNI-310206f0-19
0.239
MAR-TRE-7f7bb9f0-71
0.239
SIM-DEM-2843056b-1
0.239
MAR-TRE-3e4e6814-10
0.238
MAR-TRE-c8530538-59
0.237
GIA-UNK-7337c2f3-7
0.237
TAT-ENA-80bfd3e5-30
0.237
MAR-TRE-74c6519b-98
0.236
MAR-TRE-f5c2d31c-52
0.236
MAR-TRE-c8530538-68
0.236
PET-UNK-f360ae44-8
0.236
PET-UNK-f360ae44-16
0.236
AAR-UNI-c25c2f1e-59
0.236
ERI-UCB-fbdd3ea1-10
0.235
ROM-UNK-ef52a3c9-2
0.235
MAR-TRE-9d18ae8c-41
0.235
MAR-TRE-f6f5f473-17
0.234
MAR-TRE-f6f5f473-68
0.234
MAK-UNK-849bee6c-1
0.234
NIM-UNI-310206f0-41
0.234
MAK-UNK-c97f7c8f-1
0.234
MAR-TRE-f6f5f473-86
0.233
BAR-COM-4e090d3a-58
0.233
MAR-TRE-3e4e6814-21
0.232
EDJ-MED-6d9ff7d0-6
0.232