Molecular Properties | |
SMILES: | CCN(C(=O)CCl)c1ccccc1 |
MW: | 197.06 |
Fraction sp3: | 0.3 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 20.31 |
cLogP: | 2.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-01706 |
Enamine SCR: | Z56896273 |
Mcule: | MCULE-5740704475 |
MolPort: | MolPort-000-872-198 |
LON-WEI-8f408cad-3
SAD-SAT-d8079f6f-8
0.550
MAR-LAB-ca4662a6-3
0.500
SAD-SAT-d8079f6f-10
0.477
MAR-LAB-efb042c5-6
0.415
MAK-UNK-e0fdfe28-1
0.383
AAR-POS-0daf6b7e-1
0.382
TAT-ENA-80bfd3e5-23
0.357
MAK-UNK-3e0761f8-8
0.333
JAL-FNM-0d3e14c0-1
0.328
DRE-WAB-9b73098a-1
0.322
LON-WEI-120e5cf5-5
0.317
THO-SYG-98fc3427-3
0.316
SAD-SAT-6b5a89f0-8
0.304
MAT-POS-fa06b69f-5
0.300
TAT-ENA-80bfd3e5-36
0.300
MAK-UNK-7c9d1431-15
0.286
WJF-WAB-092bbb97-1
0.286
UNK-UNK-2ede4078-14
0.286
UNK-UNK-2ede4078-49
0.284
TAT-ENA-80bfd3e5-42
0.283
MAT-POS-fa06b69f-8
0.283
MAK-UNK-72659d64-7
0.283
ASH-UNK-40b46b30-3
0.279
MAR-TRE-6a44bbf2-98
0.274
BEN-BAS-edf2ae6d-1
0.274
MAR-TRE-6a44bbf2-23
0.273
MAK-UNK-7c9d1431-24
0.273
DRR-IMP-38dce17f-3
0.273
MAK-UNK-f983951f-5
0.273
UNK-UNK-2ede4078-36
0.273
WIL-UNI-5578df48-3
0.273
EMI-TUK-a58865cc-6
0.271
MAR-TRE-6a44bbf2-80
0.270
MAK-UNK-f983951f-22
0.268
AAA-OOO-6ef70637-1
0.267
EMI-TUK-a58865cc-5
0.265
SAD-SAT-65574d3f-3
0.264
MAK-UNK-f983951f-13
0.264
RAL-THA-4a5dabff-1
0.263
UNK-UNK-2ede4078-44
0.263
AAR-POS-0daf6b7e-7
0.262
GIA-UNK-d2defdc3-9
0.261
KEI-TRE-d5e2018a-81
0.261
ANT-DIA-b7f58f21-4
0.260
EMI-TUK-a58865cc-7
0.257
MAR-TRE-6a44bbf2-2
0.257
ANT-OPE-6a16a9ad-1
0.254
MAK-UNK-7c9d1431-9
0.254
MAR-TRE-6a44bbf2-21
0.254
MAR-TRE-6a44bbf2-85
0.254
MAR-TRE-6a44bbf2-50
0.254
MAR-TRE-6a44bbf2-64
0.254
MAR-TRE-87acfbcc-27
0.254
MAK-UNK-5d2caa6f-20
0.254
YOI-UNK-12211982-6
0.254
YOI-UNK-a533afbc-6
0.254
MAR-TRE-6a44bbf2-71
0.254
SAL-INS-1c7a5a55-7
0.253
JAN-GHE-4287bd1a-7
0.250
DAN-PUR-19f24f0c-2
0.250
EMI-TUK-a58865cc-4
0.250
MAR-TRE-a78003aa-29
0.250
MAK-UNK-6ca90168-11
0.250
MAK-UNK-987948f6-2
0.250
MAK-UNK-752736de-1
0.250
ALP-POS-75715966-5
0.247
MAR-LAB-efb042c5-2
0.247
ALP-POS-6d04362c-1
0.247
SAD-SAT-c989feaa-4
0.246
JAN-GHE-83b26c96-16
0.246
PEI-IMP-e4a008a2-1
0.246
RAL-THA-d07c7800-5
0.244
UNK-UNK-2ede4078-7
0.244
JAN-GHE-4287bd1a-8
0.243
MAK-UNK-df1a028e-4
0.243
DUN-NEW-f8ce3686-22
0.242
DAN-PUR-3907f623-3
0.242
MAR-TRE-6a44bbf2-76
0.242
MAR-TRE-6a44bbf2-28
0.242
MAK-UNK-7c9d1431-23
0.242
AAR-POS-d2a4d1df-24
0.242
SIM-SYN-f15aaa3a-1
0.241
WIL-UNI-5578df48-2
0.241
AAR-UNI-c25c2f1e-59
0.241
MAK-UNK-c8c8f7e2-5
0.239
MAK-UNK-942dcb71-2
0.239
MAR-TRE-a78003aa-78
0.239
LON-WEI-120e5cf5-15
0.238
ALP-POS-bad7201a-14
0.238
AAR-POS-0daf6b7e-8
0.238
MAR-TRE-6a44bbf2-86
0.238
MAR-TRE-6a44bbf2-94
0.238
WIL-LEE-23e8b574-6
0.237
GIA-UNK-3f36037a-4
0.237
ALE-UNK-fca05062-8
0.237
MAK-UNK-72659d64-14
0.236
DRA-CSI-47e38074-2
0.236
JUA-UNI-b93289a4-6
0.234
MAK-UNK-7c9d1431-27
0.234
THO-SYG-98fc3427-2
0.234