Molecular Properties | |
SMILES: | O=C(O)c1ccc(N(Cc2ccccc2)C(=O)CCl)cc1 |
MW: | 303.07 |
Fraction sp3: | 0.12 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 57.61 |
cLogP: | 3.16 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SAD-SAT-d8079f6f-7
0.415
MAR-LAB-ca4662a6-3
0.387
ALP-POS-6d04362c-1
0.372
UNK-UNK-2ede4078-14
0.365
MAK-UNK-e0fdfe28-1
0.357
SAD-SAT-d8079f6f-8
0.352
ALP-POS-6d04362c-5
0.349
ALP-POS-a3de0cb1-15
0.346
UNK-UNK-2ede4078-7
0.345
ALP-POS-8ed8d9ec-13
0.345
ALP-POS-a3de0cb1-9
0.345
WIL-UNI-5578df48-3
0.338
ALP-POS-bad7201a-14
0.337
ALP-POS-bad7201a-6
0.337
ALP-POS-8ed8d9ec-6
0.326
ALP-POS-bad7201a-10
0.317
SAD-SAT-d8079f6f-10
0.310
WIL-UNI-5578df48-8
0.310
ALP-POS-a3de0cb1-16
0.309
MAK-UNK-7c9d1431-24
0.306
DRR-IMP-38dce17f-3
0.306
MAR-TRE-d3c2bf0e-59
0.295
ALP-POS-bad7201a-1
0.293
ALP-POS-c0c213c9-5
0.291
RUT-UNI-630c5802-2
0.286
MAK-UNK-f983951f-5
0.286
THO-SYG-98fc3427-3
0.284
MAR-TRE-423310b6-70
0.282
MAK-UNK-f983951f-22
0.281
RUT-UNI-630c5802-6
0.280
AAR-POS-0daf6b7e-1
0.279
TAT-ENA-80bfd3e5-23
0.279
MAK-UNK-f983951f-13
0.279
MAR-TRE-87acfbcc-39
0.278
SAD-SAT-c989feaa-4
0.276
ANT-DIA-b7f58f21-4
0.276
MAK-UNK-987948f6-1
0.275
ALP-POS-a3de0cb1-1
0.275
MAK-UNK-10dfa458-39
0.274
ALP-POS-a1bdc92a-1
0.273
DAR-DIA-093892e4-11
0.272
GIA-UNK-595fac82-5
0.271
MAK-UNK-15efde89-1
0.271
DRA-CSI-47e38074-1
0.271
JUL-TUD-06b2044f-43
0.271
MAR-TRE-6a44bbf2-9
0.270
MAR-TRE-6a44bbf2-2
0.269
SAD-SAT-6b5a89f0-8
0.268
EDG-MED-0da5ad92-20
0.267
ALP-POS-bad7201a-15
0.267
CHO-MSK-00c5269a-3
0.267
ALP-POS-6d04362c-2
0.267
CHO-MSK-00c5269a-1
0.267
RUT-UNI-630c5802-3
0.266
RUT-UNI-630c5802-4
0.266
MAR-TRE-d3c2bf0e-11
0.265
PET-UNK-b75fdf9f-1
0.264
MAK-UNK-ec98eaf6-58
0.264
MAK-UNK-af83ef51-2
0.264
ALP-POS-c59291d4-1
0.264
RUT-UNI-630c5802-10
0.263
RUT-UNI-630c5802-1
0.263
MAR-TRE-87acfbcc-31
0.263
MED-COV-4280ac29-25
0.263
GIA-UNK-5ec6c2b8-3
0.262
SAD-SAT-1f400d17-1
0.262
DAR-DIA-093892e4-7
0.261
MIC-UNK-bcd487e9-1
0.261
ALP-POS-bad7201a-4
0.261
RUT-UNI-630c5802-7
0.260
RAL-THA-d07c7800-1
0.260
RUT-UNI-630c5802-8
0.260
RUT-UNI-630c5802-5
0.260
GIA-UNK-a33ae3bd-1
0.260
RAL-THA-4a5dabff-1
0.259
PET-UNK-7374c256-1
0.258
ALP-POS-8ed8d9ec-7
0.258
MAD-UNK-b1ea4171-1
0.258
MAD-UNK-84a4f939-1
0.258
CHO-MSK-00c5269a-2
0.258
DAR-DIA-093892e4-5
0.258
RAL-THA-d07c7800-2
0.258
RAL-THA-d07c7800-4
0.258
AAR-POS-d2a4d1df-24
0.257
MAR-TRE-6a44bbf2-28
0.257
MAK-UNK-7c9d1431-23
0.257
STE-KUL-2e0d2e88-7
0.256
MAR-TRE-66ac689e-83
0.256
PET-UNK-55f647aa-3
0.256
RAL-THA-d07c7800-5
0.255
CHO-MSK-00c5269a-4
0.255
CHO-MSK-00c5269a-5
0.255
DRA-CSI-47e38074-2
0.254
DRA-CSI-47e38074-14
0.253
JUA-UNI-bc099708-1
0.253
ALP-POS-75715966-4
0.253
DAR-DIA-093892e4-12
0.253
JOH-UNI-c7afdb96-15
0.250
AAR-UNI-c25c2f1e-100
0.250
SAL-INS-1c7a5a55-7
0.250