Molecular Properties | |
SMILES: | O=C(CCCNC(=O)c1ccccc1)Nc1cccc(N2CCCC2)c1 |
MW: | 351.19 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 61.44 |
cLogP: | 3.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
SAD-SAT-24589cd1-2
0.439
AAR-UNI-c25c2f1e-41
0.355
MAR-TRE-e82e6c98-50
0.352
AAR-UNI-c25c2f1e-65
0.341
AAR-UNI-c25c2f1e-71
0.333
LON-WEI-8f408cad-1
0.326
MAK-UNK-7a704a63-10
0.326
AAR-POS-0daf6b7e-11
0.326
AAR-UNI-c25c2f1e-60
0.322
SWA-SYN-d2e6fa14-10
0.322
SWA-SYN-6423ea73-9
0.322
IND-SYN-6c8299e8-8
0.322
MAR-TRE-9d18ae8c-18
0.319
AAR-UNI-c25c2f1e-2
0.311
AAR-UNI-c25c2f1e-82
0.311
MAK-UNK-7a704a63-9
0.310
STE-KUL-2e0d2e88-1
0.310
BAR-COM-4e090d3a-58
0.309
WIL-LEE-23e8b574-8
0.308
MAK-UNK-c8c8f7e2-22
0.307
MAK-UNK-c8c8f7e2-24
0.307
AAR-UNI-c25c2f1e-79
0.307
MAK-UNK-1e8f9e3c-3
0.306
MAK-UNK-1e8f9e3c-5
0.306
MAK-UNK-c8c8f7e2-27
0.306
MAK-UNK-c8c8f7e2-23
0.303
AAR-UNI-c25c2f1e-30
0.303
AAR-UNI-c25c2f1e-9
0.295
AAR-UNI-c25c2f1e-45
0.293
MAK-UNK-9159f8ed-1
0.290
MAK-UNK-c8c8f7e2-17
0.289
AAR-UNI-c25c2f1e-39
0.289
MAK-UNK-c8c8f7e2-18
0.286
WEI-UNI-64684f14-3
0.286
MAK-UNK-1e8f9e3c-4
0.282
AAR-POS-0daf6b7e-5
0.279
MAK-UNK-c8c8f7e2-26
0.279
MAK-UNK-7a704a63-13
0.279
MAK-UNK-7a704a63-12
0.279
MAK-UNK-0955449e-25
0.279
PAT-UNK-b2d83456-3
0.278
MAK-UNK-7a704a63-14
0.278
AHN-SAT-de2502ba-6
0.278
MAK-UNK-c8c8f7e2-28
0.278
MAR-TRE-6a44bbf2-43
0.278
MAR-TRE-4f781e27-49
0.276
MAK-UNK-c8c8f7e2-25
0.275
MAR-TRE-92684b97-89
0.274
MAR-TRE-4f781e27-43
0.272
AAR-UNI-c25c2f1e-40
0.272
AAR-POS-d2a4d1df-38
0.272
AHN-SAT-de2502ba-5
0.272
MAR-TRE-6a44bbf2-71
0.271
NIR-WEI-dcc3321b-2
0.271
CHR-SOS-7098f804-9
0.270
AAR-UNI-c25c2f1e-20
0.270
SWA-SYN-d2e6fa14-8
0.270
SWA-SYN-6423ea73-8
0.270
MAK-UNK-c8c8f7e2-16
0.270
AAR-UNI-c25c2f1e-46
0.270
NIC-UNI-0cb6411b-1
0.269
MAK-UNK-6435e6c2-4
0.267
MAR-TRE-799db12b-14
0.267
MAK-UNK-10dfa458-3
0.267
MAK-UNK-10dfa458-22
0.267
MAK-UNK-c8c8f7e2-15
0.264
MAK-UNK-7a704a63-8
0.264
MAK-UNK-c8c8f7e2-30
0.264
AAR-UNI-c25c2f1e-83
0.264
MAR-TRE-a9136c7b-11
0.264
AAR-UNI-c25c2f1e-57
0.264
MAK-UNK-c8c8f7e2-29
0.264
MAK-UNK-9159f8ed-4
0.264
MAR-TRE-a9136c7b-57
0.263
MAR-TRE-9d18ae8c-52
0.263
AAR-UNI-c25c2f1e-89
0.263
WIL-LEE-23e8b574-6
0.262
MAK-UNK-9159f8ed-2
0.262
MAR-TRE-9d18ae8c-53
0.260
MAK-UNK-c8c8f7e2-21
0.258
MAR-TRE-fd17a9b8-63
0.258
MAK-UNK-1e8f9e3c-2
0.257
DAV-IMP-59dd6621-6
0.256
AAR-UNI-c25c2f1e-75
0.255
MAR-TRE-a9136c7b-42
0.255
AAR-UNI-c25c2f1e-8
0.255
MAR-TRE-f5c2d31c-58
0.255
MAK-UNK-10dfa458-32
0.254
GIA-UNK-d2defdc3-2
0.253
AAR-UNI-c25c2f1e-97
0.253
GIA-UNK-d2defdc3-4
0.253
MAR-TRE-6a44bbf2-3
0.253
IND-SYN-6c8299e8-9
0.253
MAR-TRE-799db12b-33
0.253
MAK-UNK-9159f8ed-6
0.252
MAK-UNK-1e8f9e3c-1
0.252
MAK-UNK-7a704a63-2
0.250
SIM-SYN-7db9eb24-2
0.250
LON-WEI-120e5cf5-19
0.250
MAK-UNK-de8f6d00-2
0.250