Molecular Properties | |
SMILES: | NC(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccccc2)c1 |
MW: | 315.1 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 101.29 |
cLogP: | 1.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Oxalyl
WIL-UNI-1faa9b10-37
0.410
JOH-UNI-c7afdb96-15
0.338
WIL-UNI-1faa9b10-28
0.329
AAR-UNI-c25c2f1e-35
0.321
WIL-UNI-1faa9b10-4
0.321
WIL-UNI-1faa9b10-23
0.312
WIL-UNI-1faa9b10-17
0.310
AAR-UNI-c25c2f1e-2
0.309
NAU-LAT-64f4b287-9
0.301
AAR-UNI-c25c2f1e-9
0.291
SAD-SAT-2fd372d1-2
0.286
GIA-UNK-3f36037a-5
0.284
GIA-UNK-3f36037a-6
0.282
MAK-UNK-752736de-12
0.282
WIL-UNI-1faa9b10-46
0.277
AAR-UNI-c25c2f1e-51
0.275
MAR-TRE-f6f5f473-94
0.275
MAT-POS-90fd5f68-19
0.275
NIM-NMI-8bb27a2b-20
0.273
MAR-SOS-c7881798-4
0.272
MAR-SOS-82e3a7c7-12
0.272
MAR-TRE-3e4e6814-73
0.271
DAV-IMP-59dd6621-27
0.269
MAR-TRE-3e4e6814-14
0.268
NIM-UNI-bb9030bf-1
0.267
LON-WEI-1908424e-1
0.265
MAK-UNK-27459e11-12
0.264
LON-WEI-adc59df6-40
0.263
AAR-UNI-c25c2f1e-78
0.262
MAR-TRE-f6f5f473-90
0.261
AAR-UNI-c25c2f1e-21
0.261
AAR-UNI-c25c2f1e-25
0.261
MAR-SOS-82e3a7c7-9
0.260
MAR-TRE-3e4e6814-12
0.260
MAR-SOS-c7881798-9
0.260
MAT-POS-b5746674-51
0.260
MAK-UNK-f983951f-22
0.260
MAR-TRE-74c6519b-27
0.258
MAK-UNK-942dcb71-17
0.257
ALE-UNK-fca05062-6
0.257
IAN-BAS-df1706d7-1
0.256
NIC-BIO-3276ca7f-7
0.256
MAK-UNK-27459e11-5
0.253
MAR-TRE-3e4e6814-5
0.253
MAR-TRE-74c6519b-47
0.250
YUN-WES-64c64eb2-2
0.250
YUN-WES-58b0dbae-7
0.250
WIL-UNI-1faa9b10-3
0.250
NIM-NMI-8bb27a2b-10
0.250
MAT-GRU-7002a1a0-1
0.250
MAR-TRE-3e4e6814-7
0.250
MAR-TRE-67513f76-100
0.250
JUA-UNI-bc099708-5
0.248
ALP-POS-02c6a514-57
0.248
MAR-TRE-3e4e6814-84
0.247
MIC-UNK-bcd487e9-1
0.247
RAL-THA-1d44ff04-4
0.247
MAR-TRE-a3327163-36
0.247
RAL-THA-2d450e86-26
0.247
AAR-UNI-c25c2f1e-82
0.247
AAR-UNI-c25c2f1e-65
0.247
ERI-BAS-c446d2a7-1
0.245
MAR-TRE-04c86cea-21
0.245
MAR-TRE-f6f5f473-55
0.245
NIC-BIO-3276ca7f-4
0.245
ARI-TAT-5792557e-28
0.244
MAR-TRE-04c86cea-6
0.243
NIC-BIO-b40446ce-2
0.242
SAL-INS-68b48d12-1
0.242
WIL-UNI-1faa9b10-47
0.242
VLA-UNK-9a7dc93f-2
0.242
KEN-ILL-f8fa3277-1
0.242
BAR-COM-4e090d3a-19
0.242
AAR-UNI-c25c2f1e-79
0.241
WIL-UNI-5578df48-8
0.241
MAR-TRE-4b834d9a-23
0.240
MIC-UNK-cdc2493e-3
0.240
EDG-MED-0da5ad92-20
0.240
MAR-TRE-a3327163-30
0.240
JAG-UCB-cedd89ab-9
0.238
SAN-PRS-52b81272-2
0.237
MAK-UNK-27459e11-4
0.236
MAR-TRE-fd17a9b8-37
0.236
NIC-BIO-7d400292-2
0.236
WIL-UNI-1faa9b10-2
0.235
ANT-DIA-b7f58f21-4
0.235
LIL-FNM-97d58b1d-1
0.235
MAR-TRE-04c86cea-60
0.235
WIL-UNI-5578df48-3
0.235
JUA-UNI-b93289a4-6
0.235
TRY-UNI-714a760b-2
0.235
SAL-INS-68b48d12-3
0.234
MAT-POS-90fd5f68-1
0.234
ARI-TAT-5792557e-29
0.234
MAR-TRE-9d18ae8c-81
0.233
ALP-POS-8df010a9-1
0.233
MAR-TRE-04c86cea-52
0.232
YUN-WES-64c64eb2-5
0.231
PET-UNK-dd44aeb6-1
0.231
MAR-LAB-efb042c5-6
0.231