Molecular Properties | |
SMILES: | CNC(=O)c1ccc(NC(=O)NCCCNc2ccccc2)cc1 |
MW: | 326.17 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 82.26 |
cLogP: | 2.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-79
0.486
AAR-UNI-c25c2f1e-46
0.417
AAR-UNI-c25c2f1e-16
0.400
AAR-UNI-c25c2f1e-30
0.364
AAR-UNI-c25c2f1e-45
0.350
AAR-UNI-c25c2f1e-51
0.338
JON-UNI-4b544d07-6
0.333
AAR-UNI-c25c2f1e-100
0.325
AAR-UNI-c25c2f1e-27
0.312
AAR-UNI-c25c2f1e-73
0.308
AAR-UNI-c25c2f1e-82
0.305
AAR-UNI-c25c2f1e-78
0.305
WES-WAB-2b40d25a-1
0.304
MAX-MCD-16e3709a-1
0.303
AAR-UNI-c25c2f1e-67
0.302
SAD-SAT-6b5a89f0-8
0.302
AAR-UNI-c25c2f1e-71
0.298
CHR-SOS-7098f804-9
0.297
AAR-UNI-c25c2f1e-39
0.295
CAS-DEP-e179b1f5-2
0.294
MAK-UNK-37f1d6fa-7
0.291
SID-ELM-b654bfa2-1
0.291
SID-ELM-b654bfa2-3
0.284
PET-SGC-0f1d26ed-2
0.277
WES-WAB-6f418dc2-1
0.275
AAR-UNI-c25c2f1e-65
0.274
TAT-ENA-80bfd3e5-23
0.273
SID-ELM-b654bfa2-2
0.272
WIL-UNI-5578df48-10
0.272
AAR-UNI-c25c2f1e-33
0.271
KEN-ILL-f8fa3277-4
0.269
AAR-UNI-c25c2f1e-28
0.269
GIA-UNK-3f36037a-4
0.267
GAB-FAC-880f6604-1
0.266
MAR-TRE-4f781e27-49
0.266
WAR-XCH-79d12f6e-3
0.263
SID-ELM-2583a2cd-6
0.263
AAR-UNI-c25c2f1e-40
0.262
BEN-DND-7e92b6ca-4
0.261
AAR-UNI-c25c2f1e-20
0.261
MAR-TRE-c8530538-32
0.261
SID-ELM-8b394441-1
0.260
MAK-UNK-129dcd6f-12
0.258
AAR-UNI-c25c2f1e-62
0.258
MAK-UNK-37f1d6fa-2
0.257
CHR-SOS-7098f804-8
0.257
JOH-UNI-c7afdb96-12
0.256
AAR-UNI-c25c2f1e-31
0.256
GIA-UNK-3f36037a-7
0.254
ALE-HEI-f28a35b5-15
0.253
MAR-TRE-1c920f6f-90
0.253
AAR-UNI-c25c2f1e-87
0.253
WIL-LEE-23e8b574-6
0.250
TRY-UNI-714a760b-8
0.250
MAK-UNK-37f1d6fa-3
0.248
AAR-UNI-c25c2f1e-64
0.247
MAR-TRE-6a44bbf2-71
0.247
WAR-XCH-79d12f6e-1
0.247
SID-ELM-8b394441-5
0.247
WAR-XCH-b0339bbe-12
0.247
MAR-TRE-6a44bbf2-85
0.247
AAR-POS-d2a4d1df-11
0.247
MAR-TRE-f5c2d31c-38
0.245
MAR-TRE-f5c2d31c-81
0.245
LON-WEI-5e7d1b3e-12
0.245
LON-WEI-4d77710c-12
0.245
SAD-SAT-689b7d5a-4
0.244
SID-ELM-b654bfa2-19
0.244
MAK-UNK-d1e89583-8
0.244
AAR-UNI-c25c2f1e-2
0.244
MAK-UNK-0cb6a3ad-11
0.243
DAR-DIA-03336633-2
0.242
MAK-UNK-129dcd6f-8
0.242
MAR-TRE-e82e6c98-50
0.241
SID-ELM-b654bfa2-5
0.241
MAR-TRE-1c920f6f-98
0.241
MAK-UNK-129dcd6f-6
0.241
SID-ELM-8b394441-6
0.241
ALE-HEI-f28a35b5-1
0.241
SID-ELM-2583a2cd-7
0.241
TRY-UNI-714a760b-4
0.241
HAN-NEW-5f56c3bc-3
0.240
DAR-DIA-03336633-1
0.240
CHR-SOS-7098f804-6
0.240
MAR-TRE-14ce9fd6-61
0.240
LON-WEI-4d77710c-74
0.240
LON-WEI-5e7d1b3e-74
0.240
CLI-UNI-032f7715-2
0.239
MAR-TRE-9d18ae8c-52
0.239
MAK-UNK-10dfa458-31
0.239
PET-SGC-0f1d26ed-1
0.239
MAR-TRE-2fd8122f-58
0.239
MAR-TRE-e86a56b5-41
0.239
MAR-TRE-3159af1a-12
0.238
HAN-NEW-5f56c3bc-1
0.237
MAK-UNK-30aad1f1-2
0.237
MAR-TRE-9c797165-63
0.237
JOH-SUS-bab12148-1
0.236
MAR-TRE-6c5ef77a-62
0.236
WIL-UNI-5578df48-7
0.235