Molecular Properties | |
SMILES: | O=C(CCCNC(=O)NCc1ccccc1Cl)Nc1ccccc1 |
MW: | 345.12 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 70.23 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-16
0.710
AAR-UNI-c25c2f1e-45
0.416
AAR-UNI-c25c2f1e-51
0.405
AAR-UNI-c25c2f1e-78
0.385
SAD-SAT-6b5a89f0-8
0.383
AAR-UNI-c25c2f1e-46
0.373
AAR-UNI-c25c2f1e-33
0.362
MAK-UNK-752736de-4
0.351
MAK-UNK-d1e89583-8
0.350
MAK-UNK-a7b37c5e-1
0.347
MAR-TRE-e82e6c98-50
0.346
MAK-UNK-942dcb71-8
0.342
MAX-MCD-16e3709a-1
0.338
AAR-UNI-c25c2f1e-40
0.338
MAK-UNK-942dcb71-7
0.338
AAR-UNI-c25c2f1e-87
0.333
GIA-UNK-3f36037a-4
0.333
AAR-UNI-c25c2f1e-79
0.329
AAR-UNI-c25c2f1e-44
0.326
AAR-UNI-c25c2f1e-100
0.321
AAR-UNI-c25c2f1e-52
0.311
LIL-FNM-e1865f24-1
0.309
AAR-UNI-c25c2f1e-30
0.309
AAR-UNI-c25c2f1e-39
0.307
SID-ELM-8b394441-3
0.307
MAR-LAB-ca4662a6-3
0.307
MAR-TRE-14ce9fd6-61
0.306
MAR-TRE-04c86cea-69
0.305
GIA-UNK-3f36037a-7
0.304
TAT-ENA-80bfd3e5-23
0.303
AAR-UNI-c25c2f1e-82
0.301
RAL-THA-2d450e86-36
0.301
AAR-UNI-c25c2f1e-31
0.298
AAR-UNI-c25c2f1e-97
0.298
WIL-LEE-23e8b574-6
0.297
WAR-XCH-b0339bbe-20
0.297
WAR-XCH-79d12f6e-10
0.297
MAR-TRE-6a44bbf2-86
0.295
LON-WEI-120e5cf5-15
0.295
NIM-UNI-7ba87d62-3
0.295
SID-ELM-8b394441-5
0.291
MAR-TRE-e86a56b5-66
0.291
SID-ELM-2583a2cd-10
0.289
MAR-TRE-3159af1a-99
0.287
AAR-UNI-c25c2f1e-65
0.286
AAR-UNI-c25c2f1e-64
0.286
SID-ELM-8b394441-6
0.284
DAR-DIA-03336633-15
0.284
DAR-DIA-23aa0b97-20
0.284
AAR-UNI-c25c2f1e-38
0.283
MAR-TRE-4b834d9a-76
0.280
MAR-TRE-4b834d9a-55
0.280
MAR-TRE-4b834d9a-95
0.280
MAR-TRE-4f781e27-49
0.278
DAR-DIA-03336633-2
0.278
AAR-POS-d2a4d1df-11
0.278
MAR-TRE-04c86cea-92
0.277
SID-ELM-8b394441-7
0.277
AHN-SAT-de2502ba-7
0.276
CHR-SOS-7098f804-7
0.276
SID-ELM-2583a2cd-6
0.276
WAR-XCH-79d12f6e-3
0.276
CUN-WAB-25b584ee-2
0.275
PET-SGC-0f1d26ed-2
0.274
WES-WAB-2b40d25a-1
0.274
SID-ELM-8b394441-1
0.273
JAG-SYN-9c2cd0bd-8
0.272
WIL-UNI-5578df48-9
0.270
GIA-UNK-3f36037a-2
0.269
TRY-UNI-714a760b-4
0.269
ALE-HEI-f28a35b5-1
0.269
AAR-UNI-c25c2f1e-8
0.269
SAD-SAT-135344c3-3
0.269
MAK-UNK-129dcd6f-6
0.268
SID-ELM-8b394441-14
0.267
MAK-UNK-37f1d6fa-2
0.267
HAN-NEW-5f56c3bc-1
0.266
KEN-ILL-f8fa3277-4
0.266
AAR-UNI-c25c2f1e-22
0.265
SID-ELM-8b394441-9
0.264
MAR-TRE-9d18ae8c-52
0.264
MAR-TRE-3e4e6814-54
0.263
SID-ELM-2583a2cd-5
0.263
TRY-UNI-714a760b-8
0.263
MAK-UNK-d1e89583-3
0.262
CAS-DEP-e179b1f5-2
0.261
MAK-UNK-30aad1f1-2
0.261
MAR-TRE-d0525fbf-12
0.260
SAD-SAT-29425be4-10
0.259
SID-ELM-2583a2cd-11
0.259
WIL-UNI-5578df48-11
0.259
AAR-UNI-c25c2f1e-20
0.258
WES-WAB-6f418dc2-1
0.258
AAR-UNI-c25c2f1e-72
0.257
SID-ELM-b654bfa2-1
0.256
MAK-UNK-a7b37c5e-2
0.256
SID-ELM-b654bfa2-6
0.256
AAR-UNI-c25c2f1e-2
0.256
SID-ELM-2583a2cd-9
0.256
MAK-UNK-30aad1f1-17
0.256