Molecular Properties | |
SMILES: | O=C(NCCNC(=O)Nc1ccccc1)NCc1ccc(Cl)cc1 |
MW: | 346.12 |
Fraction sp3: | 0.18 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 82.26 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-78
0.672
AAR-UNI-c25c2f1e-16
0.493
AAR-UNI-c25c2f1e-46
0.470
AAR-UNI-c25c2f1e-30
0.429
AAR-UNI-c25c2f1e-71
0.405
AAR-UNI-c25c2f1e-100
0.403
AAR-UNI-c25c2f1e-82
0.397
AAR-UNI-c25c2f1e-64
0.388
WAR-XCH-79d12f6e-10
0.385
WAR-XCH-b0339bbe-20
0.385
AAR-UNI-c25c2f1e-79
0.375
AAR-UNI-c25c2f1e-2
0.360
AAR-UNI-c25c2f1e-31
0.355
AAR-UNI-c25c2f1e-35
0.355
AAR-UNI-c25c2f1e-45
0.355
SAD-SAT-6b5a89f0-8
0.351
TAT-ENA-80bfd3e5-23
0.348
AAR-UNI-c25c2f1e-65
0.342
AAR-UNI-c25c2f1e-97
0.338
WES-WAB-6f418dc2-1
0.337
TRY-UNI-1fd04853-7
0.333
MAX-MCD-16e3709a-1
0.328
WES-WAB-2b40d25a-1
0.322
WIL-UNI-5578df48-9
0.321
AAR-UNI-c25c2f1e-33
0.321
MAR-TRE-6a44bbf2-86
0.319
LON-WEI-120e5cf5-15
0.319
AHN-SAT-de2502ba-7
0.319
NIC-BIO-a68395b7-3
0.316
MAR-TRE-e86a56b5-66
0.315
SID-ELM-8b394441-5
0.315
MAR-TRE-f5c2d31c-81
0.315
SID-ELM-8b394441-3
0.314
MAR-TRE-9d18ae8c-52
0.313
AAR-UNI-c25c2f1e-39
0.313
WIL-UNI-5578df48-11
0.312
AAR-UNI-c25c2f1e-40
0.312
AAR-UNI-c25c2f1e-73
0.310
NIC-BIO-7d400292-2
0.309
MAK-UNK-129dcd6f-6
0.307
SID-ELM-8b394441-6
0.307
LON-WEI-4d77710c-52
0.306
LON-WEI-5e7d1b3e-52
0.306
MAT-POS-2492181e-1
0.306
GIA-UNK-3f36037a-4
0.304
NIC-BIO-3276ca7f-5
0.303
AAR-POS-d2a4d1df-11
0.303
CHR-SOS-7098f804-7
0.300
MAT-POS-2492181e-4
0.300
SID-ELM-8b394441-9
0.300
WAR-XCH-79d12f6e-3
0.300
LON-WEI-4d77710c-17
0.300
LON-WEI-5e7d1b3e-17
0.300
MAR-TRE-04c86cea-21
0.297
SID-ELM-8b394441-1
0.296
MAK-UNK-a7b37c5e-4
0.296
CHR-SOS-7098f804-8
0.294
SID-ELM-b654bfa2-1
0.293
GIA-UNK-3f36037a-7
0.292
TRY-UNI-714a760b-4
0.292
ALE-HEI-f28a35b5-1
0.292
SID-ELM-8b394441-13
0.291
MAK-UNK-d1e89583-8
0.291
SID-ELM-b654bfa2-2
0.289
SID-ELM-8b394441-11
0.287
SID-ELM-8b394441-14
0.287
SID-ELM-8b394441-15
0.287
SID-ELM-b654bfa2-5
0.287
AAR-UNI-c25c2f1e-49
0.287
AAR-UNI-c25c2f1e-56
0.286
SID-ELM-2583a2cd-5
0.286
DAR-DIA-03336633-11
0.286
SID-ELM-b654bfa2-4
0.284
SID-ELM-8b394441-10
0.284
SID-ELM-b654bfa2-18
0.284
SID-ELM-8b394441-7
0.282
SID-ELM-2583a2cd-6
0.282
GAB-FAC-880f6604-1
0.281
CAS-DEP-e179b1f5-2
0.280
SID-ELM-8b394441-8
0.280
LON-WEI-120e5cf5-20
0.280
AAR-UNI-c25c2f1e-27
0.280
DAR-DIA-03336633-1
0.280
HAN-NEW-5f56c3bc-3
0.280
MAK-UNK-0cb6a3ad-11
0.279
SAD-SAT-135344c3-2
0.279
MAK-UNK-30aad1f1-3
0.279
CHR-SOS-7098f804-9
0.279
MAK-UNK-5d2caa6f-20
0.278
MAK-UNK-d1e89583-9
0.278
AAR-UNI-c25c2f1e-59
0.278
MAR-TRE-f5c2d31c-11
0.277
MAK-UNK-7c9d1431-29
0.275
MAR-TRE-14ce9fd6-61
0.275
SID-ELM-2583a2cd-20
0.275
SID-ELM-b654bfa2-19
0.275
RAL-THA-2d450e86-2
0.275
WIL-UNI-1faa9b10-51
0.275
MAT-GRU-7002a1a0-1
0.275
MAK-UNK-30aad1f1-4
0.275