Molecular Properties | |
SMILES: | N#CC(C(=O)Nc1ccccc1)C(=O)c1nn(-c2cccc(F)c2)ccc1=O |
MW: | 376.347 |
Fraction sp3: | 0.05 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 104.85 |
cLogP: | 2.33278 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
keto_def_heterocycle
beta-keto/anhydride
Ketone
oxy-amide
AAR-POS-d2a4d1df-1
JOH-UNI-c7afdb96-4
0.384
JOH-UNI-c7afdb96-3
0.373
JOH-UNI-c7afdb96-12
0.345
JOH-UNI-c7afdb96-14
0.310
JOH-UNI-c7afdb96-6
0.274
JOH-UNI-c7afdb96-8
0.272
JOH-UNI-c7afdb96-7
0.266
JOH-UNI-c7afdb96-1
0.264
JOH-UNI-c7afdb96-5
0.260
SID-ELM-8b394441-1
0.258
KEI-TRE-d5e2018a-25
0.257
MAR-TRE-14ce9fd6-61
0.256
JOH-UNI-c7afdb96-13
0.255
MAR-TRE-f5c2d31c-6
0.255
MAR-TRE-6c5ef77a-47
0.255
SID-ELM-b654bfa2-3
0.253
AAR-UNI-c25c2f1e-39
0.252
LON-WEI-b2874fec-24
0.250
JOH-UNI-522b0723-10
0.250
MEL-NAT-8c3652c8-4
0.248
JOH-UNI-c7afdb96-10
0.248
MAR-TRE-0fda4e82-84
0.243
SID-ELM-8b394441-6
0.242
SID-ELM-b654bfa2-2
0.242
MAR-TRE-0fda4e82-47
0.240
SID-ELM-b654bfa2-4
0.240
KAY-MCD-59dc2eb3-1
0.240
JOH-SUS-bab12148-1
0.238
UNK-CYC-68f84b31-84
0.237
WIL-UNI-5578df48-7
0.237
SID-ELM-8b394441-7
0.237
UNK-CYC-68f84b31-32
0.236
JOH-UNI-522b0723-12
0.236
JOH-UNI-522b0723-13
0.234
WAR-XCH-79d12f6e-3
0.233
SID-ELM-b654bfa2-6
0.232
MAR-TRE-1c920f6f-42
0.232
STE-UNK-28609fce-1
0.232
MAR-TRE-6c5ef77a-17
0.232
JOH-UNI-522b0723-7
0.232
SID-ELM-b654bfa2-1
0.232
JAG-SYN-9c2cd0bd-8
0.232
SID-ELM-8b394441-3
0.231
KEI-TRE-d5e2018a-55
0.231
MAR-TRE-a3327163-66
0.229
JOH-UNI-c7afdb96-11
0.228
SWA-SYN-59528602-3
0.228
DAR-DIA-fc970077-9
0.228
UNK-CYC-68f84b31-43
0.228
MAK-MCD-586a6efd-1
0.228
PET-SGC-0f1d26ed-1
0.228
SID-ELM-8b394441-12
0.228
JOH-UNI-c7afdb96-9
0.228
KEI-TRE-d5e2018a-81
0.228
WIL-UNI-1faa9b10-12
0.227
CHR-SOS-7098f804-8
0.227
JOH-UNI-522b0723-9
0.227
MAT-POS-a3f7f96a-4
0.227
WIL-UNI-5578df48-8
0.227
JAG-SYN-9c2cd0bd-4
0.226
MAK-UNK-c8c8f7e2-14
0.226
MAK-UNK-7a704a63-2
0.226
KEI-TRE-d5e2018a-42
0.225
LON-WEI-b2874fec-15
0.225
JOH-UNI-522b0723-8
0.225
CHR-SOS-7098f804-9
0.225
MAR-TRE-04c86cea-60
0.224
MAK-UNK-37f1d6fa-2
0.224
DRE-WAB-9b73098a-1
0.223
RAL-MED-9a5eb9cb-9
0.223
JOH-UNI-522b0723-11
0.223
LON-WEI-adc59df6-46
0.222
MAR-LAB-ca4662a6-4
0.222
PET-SGC-0f1d26ed-2
0.222
UNK-UNK-2ede4078-87
0.221
SID-ELM-8b394441-5
0.221
MAC-MCD-76766525-1
0.221
MAR-TRE-b77b7921-43
0.220
MAK-UNK-30aad1f1-17
0.220
MAK-UNK-37f1d6fa-4
0.220
MAK-UNK-30aad1f1-16
0.219
MAK-UNK-129dcd6f-8
0.219
AAR-POS-d2a4d1df-11
0.218
SID-ELM-b654bfa2-5
0.218
SID-ELM-8b394441-11
0.218
CAS-DEP-751a2458-3
0.217
AAR-UNI-c25c2f1e-67
0.217
RAL-MED-2de63afb-15
0.217
RAL-MED-2de63afb-16
0.217
LON-WEI-5e7d1b3e-47
0.217
LON-WEI-4d77710c-47
0.217
MAT-POS-b5746674-42
0.217
MAX-MCD-16e3709a-1
0.217
MAK-UNK-37f1d6fa-3
0.217
WIL-UNI-5578df48-10
0.216
MAK-UNK-129dcd6f-6
0.216
MAK-UNK-10dfa458-22
0.216
SID-ELM-b654bfa2-18
0.216
MAR-TRE-4f781e27-98
0.216
SID-ELM-2583a2cd-7
0.215