Molecular Properties | |
SMILES: | C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCl |
MW: | 330.11 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 49.41 |
cLogP: | 3.7 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-9
0.494
CHR-SOS-7098f804-9
0.387
MAR-TRE-9d18ae8c-18
0.381
AAR-UNI-c25c2f1e-2
0.375
AAR-UNI-c25c2f1e-82
0.375
AAR-UNI-c25c2f1e-9
0.353
MAR-TRE-6a44bbf2-76
0.321
MAR-TRE-6a44bbf2-64
0.316
CHR-SOS-7098f804-6
0.315
MAR-TRE-66ac689e-72
0.310
MAR-TRE-9d18ae8c-62
0.306
SAD-SAT-d8079f6f-10
0.304
MAK-UNK-1e8f9e3c-5
0.304
CHR-SOS-7098f804-8
0.297
NIC-UNI-80385019-1
0.296
AAR-UNI-c25c2f1e-65
0.294
MAR-TRE-66ac689e-76
0.292
AAR-POS-fca48359-1
0.289
MAR-TRE-799db12b-39
0.287
AAR-UNI-c25c2f1e-30
0.286
MAR-TRE-fd17a9b8-63
0.281
RUT-UNI-630c5802-11
0.280
RUT-UNI-630c5802-15
0.280
MAR-TRE-9d18ae8c-11
0.280
MAR-TRE-799db12b-37
0.280
SAD-SAT-d8079f6f-8
0.279
RUT-UNI-630c5802-4
0.279
AAR-UNI-c25c2f1e-75
0.278
MAK-UNK-1e8f9e3c-3
0.277
MAR-TRE-799db12b-2
0.275
AAR-UNI-c25c2f1e-74
0.274
RUT-UNI-630c5802-7
0.274
BAR-COM-4e090d3a-66
0.273
MAR-TRE-799db12b-86
0.272
MAR-TRE-799db12b-43
0.272
MAR-TRE-4f781e27-47
0.272
AAR-UNI-c25c2f1e-87
0.271
MAR-TRE-9d18ae8c-7
0.269
SAD-SAT-6b5a89f0-8
0.269
MAR-LAB-ff9967db-5
0.268
MAR-TRE-9d18ae8c-80
0.267
RUT-UNI-630c5802-6
0.267
MAR-TRE-9d18ae8c-77
0.266
SAL-INS-1c7a5a55-1
0.265
AAR-UNI-c25c2f1e-46
0.265
RUT-UNI-630c5802-10
0.264
MED-COV-4280ac29-1
0.264
MAR-TRE-66ac689e-31
0.264
TAT-ENA-80bfd3e5-23
0.263
JOH-UNI-c7afdb96-13
0.262
STE-KUL-2e0d2e88-1
0.262
RUT-UNI-630c5802-14
0.262
MAR-TRE-8190bb11-4
0.261
MAR-TRE-9d18ae8c-54
0.261
MAR-LAB-efb042c5-2
0.260
RUT-UNI-630c5802-2
0.260
AAR-POS-0daf6b7e-5
0.259
MAR-TRE-799db12b-73
0.258
MAR-TRE-4f781e27-2
0.258
MAR-TRE-9d18ae8c-30
0.258
MAR-TRE-e86a56b5-94
0.256
MAR-TRE-6a44bbf2-57
0.256
MAR-TRE-66ac689e-8
0.256
MAR-TRE-92684b97-55
0.256
MAR-TRE-799db12b-25
0.255
SAD-SAT-d8079f6f-7
0.254
MAR-TRE-6a44bbf2-85
0.253
BEN-DND-93268d01-1
0.253
BEN-DND-03406596-4
0.253
BEN-DND-03406596-11
0.253
BEN-DND-03406596-12
0.253
MAR-TRE-6a44bbf2-98
0.253
MAR-TRE-799db12b-16
0.253
MAR-TRE-799db12b-27
0.253
MAR-TRE-92684b97-32
0.253
MAK-UNK-1e8f9e3c-2
0.253
MAR-TRE-799db12b-87
0.250
RUT-UNI-630c5802-5
0.250
RUT-UNI-630c5802-8
0.250
AAR-UNI-c25c2f1e-8
0.250
RUT-UNI-630c5802-13
0.248
RUT-UNI-630c5802-12
0.248
FRA-BIO-8bf1eac9-4
0.248
LON-WEI-ff7b210a-6
0.248
MAR-TRE-9d18ae8c-10
0.247
MAR-TRE-c317dd82-56
0.247
MAK-UNK-9159f8ed-6
0.247
MAK-UNK-1e8f9e3c-1
0.247
MAR-TRE-799db12b-24
0.247
MAR-TRE-66ac689e-98
0.247
AAR-UNI-c25c2f1e-97
0.247
DRA-CSI-13f611db-2
0.247
DRA-CSI-3ab97369-14
0.247
TRY-UNI-714a760b-14
0.247
SID-ELM-2583a2cd-7
0.247
LON-WEI-adc59df6-38
0.246
RUT-UNI-630c5802-9
0.246
RUT-UNI-630c5802-16
0.245
JAN-GHE-76def03c-2
0.245
SIM-SYN-7db9eb24-2
0.245