Molecular Properties | |
SMILES: | CCNC(=O)c1cccc(NC(=O)NCCNC(=O)Nc2ccccc2)c1 |
MW: | 369.18 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 5 |
Rotatable Bonds: | 7 |
TPSA: | 111.36 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-46
0.500
AAR-UNI-c25c2f1e-78
0.444
AAR-UNI-c25c2f1e-82
0.444
AAR-UNI-c25c2f1e-51
0.429
AAR-UNI-c25c2f1e-65
0.425
AAR-UNI-c25c2f1e-79
0.423
AAR-UNI-c25c2f1e-40
0.411
AAR-UNI-c25c2f1e-39
0.405
AAR-UNI-c25c2f1e-100
0.392
AAR-UNI-c25c2f1e-31
0.382
AAR-UNI-c25c2f1e-16
0.378
MAR-TRE-9d18ae8c-52
0.370
CHR-SOS-7098f804-8
0.364
AAR-UNI-c25c2f1e-97
0.364
MAR-TRE-799db12b-39
0.359
MAR-TRE-fd17a9b8-63
0.350
AAR-UNI-c25c2f1e-45
0.346
WES-WAB-6f418dc2-1
0.345
MAX-MCD-16e3709a-1
0.339
PET-SGC-0f1d26ed-2
0.338
AAR-UNI-c25c2f1e-2
0.333
CHR-SOS-7098f804-9
0.333
WES-WAB-2b40d25a-1
0.330
AAR-UNI-c25c2f1e-75
0.329
SID-ELM-2583a2cd-6
0.329
PET-SGC-0f1d26ed-1
0.325
MAK-UNK-c8c8f7e2-17
0.325
IAN-BAS-36ca50f1-1
0.323
AAR-POS-d2a4d1df-38
0.321
MAK-UNK-37f1d6fa-6
0.320
AAR-UNI-c25c2f1e-89
0.318
SAD-SAT-6b5a89f0-8
0.317
WIL-UNI-1faa9b10-46
0.316
SID-ELM-b654bfa2-3
0.312
MAR-TRE-4f781e27-49
0.311
MAR-TRE-9d18ae8c-18
0.310
JOO-IND-6372a4f3-3
0.309
AAR-UNI-c25c2f1e-71
0.309
MAK-UNK-129dcd6f-9
0.306
AAR-UNI-c25c2f1e-87
0.303
GIA-UNK-3f36037a-7
0.303
AAR-UNI-c25c2f1e-98
0.302
MAK-UNK-129dcd6f-16
0.302
MAR-TRE-f5c2d31c-39
0.302
ALE-HEI-f28a35b5-1
0.301
TAT-ENA-80bfd3e5-23
0.301
SID-ELM-2583a2cd-7
0.301
TRY-UNI-714a760b-4
0.301
MAR-TRE-f5c2d31c-9
0.301
SID-ELM-b654bfa2-6
0.300
MAR-TRE-f5c2d31c-33
0.299
AAR-UNI-c25c2f1e-64
0.299
MAK-UNK-10dfa458-24
0.299
SID-ELM-b654bfa2-2
0.299
MAK-UNK-129dcd6f-6
0.299
MAR-TRE-f5c2d31c-11
0.298
NIC-UNI-0cb6411b-1
0.297
AAR-UNI-c25c2f1e-35
0.296
AAR-UNI-c25c2f1e-33
0.296
SID-ELM-2583a2cd-5
0.296
AAR-POS-d2a4d1df-11
0.294
MAR-TRE-fd17a9b8-56
0.293
AAR-UNI-c25c2f1e-62
0.293
LON-WEI-120e5cf5-19
0.293
WAR-XCH-79d12f6e-3
0.292
JOO-IND-6372a4f3-1
0.291
SID-ELM-8b394441-7
0.291
WAR-XCH-79d12f6e-1
0.289
MAR-TRE-e86a56b5-66
0.289
WAR-XCH-b0339bbe-12
0.289
SID-ELM-8b394441-1
0.288
NIM-UNI-6eebfcd4-1
0.287
MAR-TRE-6a44bbf2-71
0.286
SID-ELM-b654bfa2-1
0.286
MAR-TRE-f5c2d31c-63
0.286
MAR-TRE-f5c2d31c-83
0.286
WIL-UNI-5578df48-13
0.284
LON-WEI-5e7d1b3e-6
0.282
LON-WEI-4d77710c-6
0.282
WIL-UNI-5578df48-10
0.282
SID-ELM-8b394441-6
0.282
MAR-TRE-f5c2d31c-18
0.281
MAR-TRE-799db12b-97
0.281
MAK-UNK-1e8f9e3c-3
0.281
JOO-IND-6372a4f3-2
0.280
HAN-NEW-5f56c3bc-1
0.280
MAK-UNK-37f1d6fa-3
0.280
AAR-UNI-c25c2f1e-18
0.279
MAR-TRE-9d18ae8c-10
0.278
GIA-UNK-3f36037a-4
0.278
WAR-XCH-b0339bbe-20
0.278
WAR-XCH-79d12f6e-10
0.278
MAR-TRE-66ac689e-37
0.277
AAR-UNI-c25c2f1e-22
0.277
TRY-UNI-714a760b-8
0.276
MAR-TRE-799db12b-43
0.276
WIL-UNI-1faa9b10-47
0.275
BEN-DND-031a96cc-8
0.274
AHN-SAT-de2502ba-7
0.274
MAR-TRE-9d18ae8c-53
0.274