Molecular Properties | |
SMILES: | C=CC(=O)N1CCCc2cc(C(=O)NCc3ccccc3)ccc21 |
MW: | 320.392 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 49.41 |
cLogP: | 3.0818 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3756576960 |
AAR-POS-d2a4d1df-1
DAV-IMP-59dd6621-29
0.645
DAV-IMP-59dd6621-9
0.612
DAV-IMP-59dd6621-30
0.548
DAV-IMP-59dd6621-22
0.539
MAT-POS-b5746674-112
0.489
DAV-IMP-59dd6621-24
0.421
GIA-UNK-3f36037a-5
0.305
DAV-IMP-59dd6621-26
0.295
DAV-IMP-59dd6621-28
0.294
TAT-ENA-80bfd3e5-35
0.286
MAR-TRE-66ac689e-21
0.284
SAD-SAT-1f400d17-1
0.284
AAR-UNI-c25c2f1e-2
0.283
AAR-UNI-c25c2f1e-9
0.281
DAV-IMP-59dd6621-25
0.280
MAK-UNK-10dfa458-36
0.277
SAD-SAT-2fd372d1-2
0.276
JOH-UNI-c7afdb96-15
0.274
NAU-LAT-64f4b287-9
0.274
NIM-UNI-bb9030bf-1
0.274
GIA-UNK-3f36037a-6
0.273
COM-UCB-1ef4e90e-6
0.273
ANT-OPE-c0c3e7cc-1
0.273
MAR-TRE-799db12b-69
0.270
WIL-UNI-1faa9b10-51
0.269
AAR-UNI-c25c2f1e-65
0.269
MAR-TRE-6a44bbf2-46
0.269
LON-WEI-adc59df6-40
0.269
NIM-NMI-8bb27a2b-10
0.268
MAR-TRE-f6f5f473-90
0.267
NIM-NMI-8bb27a2b-20
0.266
AAR-UNI-c25c2f1e-35
0.266
MIC-IOC-304754b1-2
0.262
RHY-UNK-4b26e9be-1
0.261
MAR-TRE-6a44bbf2-22
0.260
MAK-UNK-7c9d1431-26
0.260
AAR-UNI-c25c2f1e-27
0.258
MAT-POS-ee51dedd-3
0.257
MAK-UNK-10dfa458-9
0.256
MAR-TRE-799db12b-14
0.255
JUA-UNI-bc099708-5
0.255
MAK-UNK-10dfa458-3
0.253
MAR-TRE-9d18ae8c-18
0.253
MAR-TRE-9d18ae8c-65
0.252
MAK-UNK-942dcb71-17
0.250
ALP-POS-780445ae-7
0.250
MAR-TRE-8190bb11-90
0.250
SAD-SAT-29425be4-29
0.248
MAR-TRE-fd17a9b8-62
0.248
PAT-GYR-de8eec61-1
0.248
JAG-SYN-9c2cd0bd-3
0.247
PEI-IMP-3d837503-2
0.247
BAR-COM-4e090d3a-56
0.245
MAR-TRE-9d18ae8c-6
0.245
MAR-TRE-b77b7921-47
0.244
ALP-POS-02c6a514-57
0.243
MAT-POS-b5746674-51
0.243
AAR-UNI-c25c2f1e-21
0.243
MAR-TRE-799db12b-52
0.242
MAR-TRE-66ac689e-29
0.242
MAR-LAB-efb042c5-6
0.241
SAD-SAT-f0a2747f-2
0.241
MAK-UNK-752736de-12
0.241
NAU-LAT-f723e322-5
0.240
AAR-UNI-c25c2f1e-70
0.240
MAR-TRE-fd17a9b8-91
0.239
STE-KUL-2e0d2e88-1
0.239
NIC-UNI-f08e2453-1
0.239
MAR-TRE-f6f5f473-58
0.239
MAT-POS-b5746674-27
0.238
JUA-UNI-a9dfaed1-4
0.238
MAR-TRE-9d18ae8c-52
0.238
MAR-TRE-66ac689e-33
0.238
MAR-TRE-4f781e27-48
0.238
SAD-SAT-2ceae68f-3
0.236
MAR-TRE-f6f5f473-82
0.236
AAR-POS-0daf6b7e-5
0.236
DAV-IMP-59dd6621-14
0.236
MAR-TRE-a3327163-30
0.236
MAK-UNK-6ca90168-12
0.235
MED-COV-4280ac29-26
0.235
MAR-TRE-66ac689e-20
0.235
DRA-CSI-47e38074-14
0.234
MAK-UNK-10dfa458-8
0.234
TAM-UNI-c140e31a-12
0.234
JUA-UNI-bc099708-2
0.234
MAR-TRE-799db12b-4
0.234
SAD-SAT-5b1897b2-7
0.233
MAR-TRE-6a44bbf2-33
0.233
MAR-TRE-8190bb11-85
0.233
SIM-SYN-7db9eb24-1
0.233
MAR-TRE-8190bb11-86
0.232
MAR-TRE-b77b7921-46
0.232
MAR-TRE-fd17a9b8-37
0.232
LON-WEI-1908424e-1
0.232
SAD-SAT-f0a2747f-1
0.231
MAR-SOS-c7881798-9
0.231
MAR-TRE-3e4e6814-84
0.231
MAR-SOS-82e3a7c7-9
0.231
SAD-SAT-1f400d17-9
0.231