Molecular Properties | |
SMILES: | O=C(CCC1CC(F)C(=O)N1)Cc1c[nH]c2ncncc12 |
MW: | 290.298 |
Fraction sp3: | 0.43 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.74 |
cLogP: | 1.0763 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
LEO-EVO-0d2ed6fc-2
0.517
LEO-EVO-0d2ed6fc-4
0.475
LEO-EVO-0d2ed6fc-3
0.474
SID-ELM-1f105489-1
0.417
LEO-EVO-0d2ed6fc-7
0.376
COM-UCB-8c7d23dc-8
0.280
NIC-BIO-25446079-2
0.277
SID-ELM-1f105489-10
0.269
NIC-BIO-25446079-1
0.263
KAL-WAB-eb347ebe-1
0.261
COM-UCB-1ef4e90e-16
0.250
SID-ELM-1f105489-4
0.247
NIC-BIO-25446079-4
0.245
SID-ELM-b654bfa2-16
0.242
NIC-BIO-25446079-3
0.242
IND-SYN-3aa4e743-1
0.240
IND-SYN-6c8299e8-5
0.240
SAD-SAT-f25ee457-5
0.238
NIC-BIO-29f4a211-1
0.238
SID-ELM-2583a2cd-13
0.235
SWA-SYN-d2e6fa14-9
0.234
SWA-SYN-6423ea73-10
0.234
MAR-UCB-195bc32d-13
0.233
MAR-TRE-3159af1a-2
0.232
SWA-SYN-6423ea73-4
0.231
SWA-SYN-d2e6fa14-4
0.231
PET-SGC-fc67af9f-1
0.231
NIC-BIO-ec630548-1
0.231
TAM-UNI-c140e31a-4
0.230
NIC-UNI-f08e2453-2
0.230
MAR-TRE-3159af1a-37
0.229
LEO-EVO-0d2ed6fc-6
0.228
TRY-UNI-1fd04853-7
0.227
AAR-POS-d2a4d1df-20
0.227
NIC-BIO-ec630548-4
0.226
MAR-TRE-3159af1a-66
0.224
TRY-UNI-1fd04853-12
0.223
MAR-TRE-3159af1a-41
0.223
MAR-TRE-3159af1a-70
0.223
ASH-UNK-40b46b30-18
0.221
MAR-TRE-c317dd82-71
0.220
SID-ELM-1f105489-7
0.220
MAR-TRE-4f781e27-81
0.220
NIC-BIO-29f4a211-2
0.219
DAR-DIA-23aa0b97-2
0.219
ZAC-WAB-d55a3c2e-1
0.218
ZAC-WAB-2baeb60f-1
0.218
TRY-UNI-1fd04853-11
0.218
MAR-TRE-be9ff7d2-21
0.218
SID-ELM-8b394441-19
0.218
ANT-DIA-3c79be55-1
0.218
MAR-TRE-3159af1a-16
0.217
LEO-EVO-0d2ed6fc-5
0.217
TAM-UNI-c140e31a-8
0.217
MAR-TRE-3159af1a-40
0.217
MAR-TRE-3159af1a-90
0.217
NIC-BIO-ec630548-2
0.217
MAK-UNK-de8f6d00-5
0.217
MAR-TRE-3159af1a-9
0.216
MAK-UNK-b1917cc8-5
0.216
NIC-BIO-96ee2ca4-1
0.216
TAM-UNI-c140e31a-17
0.216
MAR-TRE-3159af1a-61
0.215
ROM-UNK-ef52a3c9-3
0.215
RED-RED-10c9212c-38
0.215
MAR-TRE-3159af1a-8
0.214
YOI-UNK-144e4c15-2
0.214
MAK-UNK-10572812-4
0.214
GAB-FRA-261eb2a6-1
0.214
NIC-BIO-ec630548-3
0.213
MAR-TRE-3159af1a-69
0.213
MAR-TRE-c317dd82-8
0.213
SAD-SAT-f25ee457-10
0.212
NIC-BIO-f814dd3d-1
0.212
SAD-SAT-f25ee457-6
0.212
MAR-TRE-3159af1a-76
0.212
RED-RED-10c9212c-49
0.212
RAL-MED-2de63afb-7
0.210
SID-ELM-1f105489-13
0.210
SID-ELM-1f105489-15
0.210
NIC-UNI-f08e2453-1
0.209
MAR-TRE-3159af1a-1
0.209
ASH-UNK-40b46b30-14
0.208
TRY-UNI-1fd04853-8
0.208
DAR-DIA-23aa0b97-12
0.208
MAR-TRE-3159af1a-33
0.208
MAK-UNK-748f8b7a-1
0.207
MAK-UNK-748f8b7a-15
0.207
MAK-UNK-748f8b7a-16
0.207
TRY-UNI-1fd04853-5
0.206
MAR-TRE-3159af1a-81
0.205
TAM-UNI-c140e31a-18
0.205
TRY-UNI-1fd04853-9
0.204
RAL-MED-2de63afb-8
0.204
RAL-MED-2de63afb-13
0.204
MAR-TRE-799db12b-12
0.204
MAK-UNK-de8f6d00-3
0.203
MAR-TRE-e82e6c98-34
0.202
MAR-TRE-85681e92-64
0.202
MAR-TRE-3159af1a-43
0.202