Molecular Properties | |
SMILES: | C[C@@H](NC(=O)c1ccccc1NC(=O)CCl)c1ccccc1 |
MW: | 316.1 |
Fraction sp3: | 0.18 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 58.2 |
cLogP: | 3.35 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-1e8f9e3c-4
0.372
MAR-TRE-799db12b-63
0.364
MAR-TRE-4f781e27-57
0.354
SAD-SAT-6b5a89f0-8
0.339
AAR-POS-0daf6b7e-10
0.319
AAR-POS-0daf6b7e-20
0.318
MAR-TRE-87acfbcc-95
0.312
MAR-TRE-66ac689e-50
0.309
MAR-TRE-6a44bbf2-81
0.306
MAR-TRE-87acfbcc-50
0.297
MAR-TRE-799db12b-20
0.296
MAR-TRE-6a44bbf2-11
0.293
MAR-TRE-6a44bbf2-98
0.289
MAR-TRE-6a44bbf2-60
0.288
MAR-TRE-6a44bbf2-97
0.288
MAR-TRE-8190bb11-51
0.287
MAR-TRE-3e4e6814-1
0.287
MAK-UNK-f983951f-22
0.286
MAR-TRE-2fd8122f-21
0.284
MAR-TRE-3e4e6814-3
0.284
MAK-UNK-f983951f-13
0.284
MAR-TRE-87acfbcc-35
0.282
DAV-CRI-3edb475e-2
0.282
SIM-SYN-f15aaa3a-1
0.282
MAR-TRE-6a44bbf2-92
0.280
BAR-COM-4e090d3a-62
0.279
MAR-TRE-8190bb11-11
0.278
MAR-TRE-4b834d9a-87
0.278
DAV-CRI-3edb475e-1
0.278
MAR-TRE-8190bb11-93
0.276
MAK-UNK-6ca90168-26
0.275
SEL-UNI-cd366922-2
0.272
MAK-UNK-6ca90168-11
0.270
AAR-POS-d2a4d1df-39
0.267
NIM-UNI-ed9fc491-3
0.266
GIA-UNK-7337c2f3-1
0.266
SAD-SAT-6b5a89f0-10
0.266
SAD-SAT-d8079f6f-8
0.266
MAR-TRE-f6f5f473-40
0.265
GIA-UNK-20b63697-5
0.265
SAD-SAT-65574d3f-3
0.265
TAT-ENA-80bfd3e5-36
0.264
MAT-POS-fa06b69f-5
0.264
MAR-TRE-799db12b-60
0.264
MAR-TRE-4f781e27-34
0.264
MAR-TRE-9d18ae8c-83
0.264
BAR-COM-4e090d3a-28
0.264
MAT-POS-fa06b69f-8
0.263
TAT-ENA-80bfd3e5-42
0.263
SEL-UNI-cd366922-5
0.263
MAR-TRE-423310b6-62
0.263
GIA-UNK-7337c2f3-4
0.263
GIA-UNK-7337c2f3-7
0.263
MAR-TRE-3e4e6814-36
0.260
MAK-UNK-6ca90168-29
0.260
DAV-CRI-3edb475e-6
0.260
GIA-UNK-20b63697-7
0.260
MAR-TRE-9d18ae8c-9
0.258
MAR-TRE-3e4e6814-76
0.258
BEN-DND-03406596-4
0.257
BEN-DND-03406596-11
0.257
BEN-DND-03406596-12
0.257
BEN-DND-93268d01-1
0.257
MAR-TRE-aca67d11-10
0.256
MAR-TRE-6a44bbf2-71
0.256
MAR-TRE-3159af1a-24
0.255
SAD-SAT-d8079f6f-10
0.254
MAK-UNK-f983951f-5
0.254
YOI-UNK-97f54f0c-1
0.253
MAR-TRE-6a44bbf2-27
0.253
GIA-UNK-7337c2f3-9
0.253
GIA-UNK-7337c2f3-8
0.253
DAV-CRI-25b90884-3
0.253
MAR-TRE-8190bb11-14
0.253
AAR-UNI-c25c2f1e-38
0.253
MAK-UNK-ca11b4f7-1
0.250
MAK-UNK-a7b37c5e-3
0.250
GIA-UNK-20b63697-1
0.250
CLI-UNI-032f7715-2
0.250
AUS-ARG-7cfdce8f-11
0.250
GIA-UNK-20b63697-4
0.250
MAR-TRE-8190bb11-48
0.250
VLA-UNK-b5cf542b-1
0.250
BAR-COM-4e090d3a-24
0.247
MAR-TRE-c8530538-72
0.247
JOK-SYG-a0b0bf84-1
0.247
CHR-SOS-7098f804-4
0.247
GIA-UNK-c4371e97-2
0.247
DAV-CRI-3edb475e-4
0.247
BAR-COM-4e090d3a-18
0.245
GIA-UNK-7337c2f3-11
0.244
GIA-UNK-7337c2f3-3
0.244
GIA-UNK-4de5abb1-1
0.244
GIA-UNK-20b63697-6
0.244
GIA-UNK-7337c2f3-6
0.244
GIA-UNK-7337c2f3-10
0.244
DAV-CRI-3edb475e-5
0.244
MAR-TRE-6a44bbf2-90
0.243
MAK-UNK-129dcd6f-4
0.242
DAR-DIA-3e9bbd81-11
0.241