Molecular Properties | |
SMILES: | NC(=O)CCCNC(=O)NCc1ccccc1-c1nc2ccccc2[nH]1 |
MW: | 351.17 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 112.9 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-41
0.347
AAR-UNI-c25c2f1e-58
0.347
SEB-HKI-06b43755-1
0.330
AAR-UNI-c25c2f1e-52
0.327
AAR-UNI-c25c2f1e-71
0.326
AAR-UNI-c25c2f1e-83
0.308
AAR-UNI-c25c2f1e-57
0.308
AAR-POS-0daf6b7e-25
0.302
AAR-UNI-c25c2f1e-72
0.299
COM-UCB-8c7d23dc-2
0.298
AAR-UNI-c25c2f1e-16
0.297
MAR-TRE-ebcc4ad6-45
0.293
SWA-SYN-40d44a84-1
0.287
CAS-DEP-751a2458-2
0.284
MAK-UNK-1bb0b7ee-12
0.280
MAR-TRE-36bf7dba-66
0.280
SWA-SYN-40d44a84-4
0.280
COM-UCB-1ef4e90e-3
0.274
SWA-SYN-40d44a84-5
0.269
AAR-UNI-c25c2f1e-20
0.265
GAB-REV-4a4e2ff3-3
0.264
MAR-TRE-aca67d11-41
0.263
MAK-UNK-3ae66343-1
0.261
GAB-REV-70cc3ca5-9
0.260
MAR-TRE-8a25d817-28
0.255
AAR-POS-0daf6b7e-39
0.253
MAK-UNK-1bb0b7ee-9
0.252
ALP-UNI-ed5cdfd2-7
0.252
CHA-KIN-6d173bb5-2
0.252
MIH-UNI-3396182e-12
0.250
SAD-SAT-f0a2747f-6
0.250
MAK-UNK-1bb0b7ee-5
0.250
MAK-UNK-1bb0b7ee-14
0.250
MAR-TRE-423310b6-61
0.250
ALP-POS-ddb41b15-9
0.246
AAR-UNI-c25c2f1e-73
0.245
MAR-TRE-87acfbcc-73
0.245
MAK-UNK-a7992eb3-25
0.242
MAK-UNK-a7992eb3-4
0.242
BAR-COM-4e090d3a-22
0.238
MAR-TRE-143fb005-37
0.237
MAK-UNK-1ac43cfa-1
0.236
MAR-TRE-143fb005-20
0.236
MAR-TRE-143fb005-19
0.236
MAR-TRE-143fb005-30
0.235
MAR-TRE-143fb005-25
0.235
MAR-TRE-143fb005-31
0.235
AAR-UNI-c25c2f1e-37
0.234
MAK-UNK-3ae66343-2
0.233
MAR-TRE-1c920f6f-65
0.233
AAR-UNI-c25c2f1e-36
0.233
ALP-POS-3fc1724e-8
0.233
JAR-KUA-672ec752-12
0.232
MAR-TRE-143fb005-16
0.231
ALP-POS-a30bcdb4-2
0.230
MAK-UNK-a7992eb3-19
0.228
RED-RED-10c9212c-19
0.227
AAR-UNI-c25c2f1e-80
0.226
MAR-TRE-143fb005-17
0.226
AAR-UNI-c25c2f1e-76
0.226
ALP-POS-a30bcdb4-1
0.226
RED-RED-10c9212c-55
0.225
MAK-UNK-a7992eb3-12
0.225
MAK-UNK-d1e89583-8
0.224
MAR-TRE-143fb005-28
0.224
AAR-UNI-c25c2f1e-28
0.224
SAL-INS-68b48d12-9
0.223
MAR-TRE-143fb005-13
0.222
AAR-UNI-c25c2f1e-19
0.221
MAR-TRE-4f781e27-83
0.221
AAR-UNI-c25c2f1e-51
0.221
MAR-TRE-9d18ae8c-20
0.220
MAR-TRE-143fb005-24
0.220
AAR-UNI-c25c2f1e-10
0.219
WIL-UNI-d4749f31-37
0.219
MAK-UNK-b1d4dcd7-1
0.218
MAR-TRE-143fb005-34
0.218
MAR-TRE-143fb005-29
0.218
CHA-KIN-04ae69e8-1
0.217
MAR-TRE-c8530538-32
0.217
SAL-INS-68b48d12-10
0.217
ALP-UNI-ed5cdfd2-3
0.216
MAR-TRE-14ce9fd6-30
0.215
MAR-TRE-d3c2bf0e-16
0.215
AAR-UNI-c25c2f1e-15
0.215
ALP-UNI-ed5cdfd2-1
0.214
LON-WEI-5e7d1b3e-20
0.214
LON-WEI-4d77710c-20
0.214
MAR-TRE-143fb005-14
0.213
AAR-UNI-c25c2f1e-43
0.213
MAR-TRE-9d18ae8c-12
0.213
AAR-UNI-c25c2f1e-78
0.212
MAK-UNK-c749d764-30
0.210
ALP-UNI-ed5cdfd2-2
0.209
AAR-UNI-c25c2f1e-84
0.209
MAK-UNK-1bb0b7ee-15
0.208
NAU-LAT-81109c57-8
0.208
MAR-TRE-9c797165-63
0.208
MAR-TRE-fd17a9b8-18
0.207
MAR-TRE-36bf7dba-26
0.207