Molecular Properties | |
SMILES: | O=C1NC(CCC(=O)N(c2cccnc2)c2c[nH]c3ncncc23)CC1F |
MW: | 368.372 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 103.87 |
cLogP: | 2.0244 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LEO-EVO-0d2ed6fc-4
0.657
LEO-EVO-0d2ed6fc-1
0.474
LEO-EVO-0d2ed6fc-2
0.442
LEO-EVO-0d2ed6fc-5
0.348
LEO-EVO-0d2ed6fc-6
0.348
LEO-EVO-0d2ed6fc-7
0.324
MIC-SGC-657978c3-5
0.271
MIC-SGC-657978c3-6
0.269
BEN-BAS-d50bea19-1
0.269
JOR-UNI-61e7b1d5-19
0.266
COM-UCB-8c7d23dc-8
0.265
MIC-SGC-657978c3-7
0.255
EMI-TUK-a58865cc-1
0.255
MAR-TRE-2fd8122f-72
0.255
MIC-SGC-657978c3-8
0.252
MAR-TRE-4b834d9a-77
0.252
COM-UCB-1ef4e90e-16
0.250
WIL-UNI-5578df48-7
0.250
EMI-TUK-a58865cc-7
0.250
TAM-UNI-c140e31a-19
0.248
KAL-WAB-eb347ebe-1
0.248
IAN-BAS-5ff43d1c-1
0.246
SIM-SYN-a98e6a07-2
0.245
MED-UNK-e6e8ef8a-2
0.245
FRA-FAC-9ed5a63a-2
0.245
JOR-UNI-61e7b1d5-9
0.243
MAR-TRE-b77b7921-71
0.243
EMI-TUK-a58865cc-5
0.243
WIL-UNI-5578df48-6
0.242
MED-UNK-55e26634-1
0.242
JOR-UNI-61e7b1d5-21
0.242
JOR-UNI-61e7b1d5-18
0.242
MAR-TRE-04c86cea-95
0.241
JOR-UNI-2fc98d0b-8
0.241
MAR-TRE-9d18ae8c-57
0.241
SID-ELM-1f105489-1
0.241
WIL-UNI-5578df48-1
0.240
ALE-HEI-f28a35b5-8
0.240
JOR-UNI-61e7b1d5-8
0.240
WIL-UNI-5578df48-2
0.240
DUN-NEW-f8ce3686-16
0.239
NIC-BIO-25446079-2
0.239
JOR-UNI-2fc98d0b-12
0.237
MAK-UNK-5d2caa6f-1
0.236
DAR-DIA-fc970077-14
0.236
FRA-FAC-9ed5a63a-3
0.235
DUN-NEW-f8ce3686-15
0.235
SAD-SAT-24589cd1-4
0.235
JOR-UNI-61e7b1d5-20
0.233
MED-UNK-40f14d64-1
0.233
MAR-TRE-2fd8122f-27
0.232
MAR-TRE-b77b7921-80
0.232
MAR-TRE-3e4e6814-49
0.232
SID-ELM-1f105489-10
0.231
WIL-UNI-5578df48-5
0.231
KEI-TRE-d5e2018a-8
0.231
MAR-TRE-2fd8122f-30
0.231
MAR-TRE-3159af1a-93
0.230
EMI-TUK-b780fc43-2
0.230
BEN-BAS-3b12fa42-1
0.230
MAR-TRE-3159af1a-81
0.230
NAU-LAT-64f4b287-10
0.229
JOR-UNI-61e7b1d5-25
0.229
RED-RED-10c9212c-38
0.229
WIL-UNI-5578df48-8
0.229
DAN-PUR-3907f623-3
0.229
MAR-TRE-3159af1a-43
0.228
MAR-TRE-74c6519b-81
0.228
SAN-PRS-52b81272-1
0.228
MAR-TRE-3e4e6814-67
0.227
MAR-TRE-3159af1a-69
0.227
MAR-TRE-4f781e27-29
0.226
FRA-FAC-9ed5a63a-4
0.226
MAR-TRE-2fd8122f-49
0.226
KEI-UNI-85a52787-3
0.226
JOH-IMS-62aeb97d-1
0.225
FRA-FAC-9ed5a63a-1
0.225
ALE-HEI-f28a35b5-9
0.225
AAR-POS-d2a4d1df-13
0.225
ALE-HEI-f28a35b5-4
0.225
MAR-TRE-b77b7921-74
0.225
ASH-UNK-40b46b30-9
0.225
MAR-TRE-a9136c7b-77
0.225
MAR-TRE-2fd8122f-20
0.225
KEI-TRE-d5e2018a-95
0.225
MAR-TRE-d0525fbf-92
0.225
TRY-UNI-69298daf-5
0.225
JOR-UNI-61e7b1d5-6
0.225
WIL-UNI-5578df48-3
0.224
MAR-TRE-7f7bb9f0-82
0.224
MAR-TRE-3159af1a-45
0.224
MAR-TRE-04c86cea-8
0.224
MAR-UCB-195bc32d-13
0.223
MAK-UNK-f0bfc2e0-1
0.223
BEN-BAS-ec4a2f8b-1
0.223
JOR-UNI-61e7b1d5-27
0.223
NAU-LAT-42d4957e-5
0.223
JOR-UNI-61e7b1d5-23
0.223
JOR-UNI-61e7b1d5-31
0.223
MAR-TRE-f6f5f473-36
0.222