Molecular Properties | |
SMILES: | CC(=O)Nc1cncc(CCNC(=O)c2ccccc2F)c1C |
MW: | 315.348 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.09 |
cLogP: | 2.46002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-10
0.465
PET-SGC-2e937068-1
0.463
MAR-TRE-3159af1a-68
0.383
ASH-UNK-40b46b30-4
0.333
MAR-TRE-799db12b-20
0.329
MAR-TRE-fd17a9b8-33
0.308
SAD-SAT-cefd50cc-5
0.301
BEN-DND-93268d01-7
0.299
MAR-TRE-2fd8122f-53
0.296
MAK-UNK-37f1d6fa-4
0.284
TRY-UNI-714a760b-8
0.280
MAK-UNK-37f1d6fa-1
0.279
TRY-UNI-714a760b-2
0.277
MAR-TRE-4f781e27-23
0.277
MAR-TRE-8190bb11-51
0.276
MAR-TRE-4f781e27-82
0.274
BEN-DND-a7517465-11
0.274
RAL-THA-2d450e86-37
0.273
MAR-TRE-4f781e27-81
0.272
MAK-UNK-37f1d6fa-3
0.271
MAK-UNK-129dcd6f-6
0.271
MAR-TRE-9d18ae8c-83
0.269
ANT-DIA-b7f58f21-4
0.268
ALP-POS-d7944b10-16
0.267
MAR-TRE-74c6519b-96
0.267
PET-SGC-c429dc17-1
0.266
CES-WAB-18e74d70-1
0.266
PET-UNK-8df914d1-3
0.264
MAR-TRE-8190bb11-95
0.264
MAR-LAB-ff9967db-33
0.264
NAT-WAB-78d8bb1c-2
0.263
MAR-TRE-92684b97-22
0.262
ROM-UNK-ef52a3c9-4
0.260
MAR-TRE-e82e6c98-51
0.260
TRY-UNI-714a760b-3
0.258
MAR-TRE-8190bb11-69
0.258
RAL-THA-2d450e86-23
0.258
DAR-DIA-03336633-11
0.257
BEN-DND-93268d01-16
0.256
TRY-UNI-714a760b-14
0.256
PET-UNK-c6bcc80b-7
0.255
PET-SGC-1c3a473d-1
0.255
MAR-TRE-8190bb11-96
0.253
NAU-LAT-30527ac5-4
0.252
MAR-TRE-be9ff7d2-39
0.250
MAR-TRE-9d18ae8c-62
0.250
MAR-TRE-4f781e27-49
0.250
ALP-POS-6479a3a9-3
0.250
ALP-POS-d7944b10-1
0.250
AAR-POS-d2a4d1df-3
0.250
MAK-UNK-6435e6c2-8
0.250
MAK-UNK-129dcd6f-1
0.247
MAR-TRE-799db12b-37
0.247
MAR-TRE-c8530538-39
0.247
ANU-UNK-2781581f-2
0.247
GAB-REV-4a4e2ff3-14
0.247
ALP-POS-76eab5ce-2
0.247
MAR-TRE-3159af1a-55
0.245
DAR-DIA-03336633-9
0.245
MAT-POS-91829f0d-1
0.245
MAR-UCB-f313ec4d-2
0.245
MAR-TRE-be9ff7d2-73
0.245
DAR-DIA-8e329c92-9
0.245
MAR-TRE-c8530538-45
0.245
JIN-POS-6dc588a4-13
0.245
TRY-UNI-714a760b-19
0.245
MAR-TRE-c317dd82-35
0.244
MAR-TRE-9d18ae8c-48
0.244
GAB-REV-70cc3ca5-21
0.244
NAT-WAB-78d8bb1c-1
0.243
DAR-DIA-03336633-8
0.243
MAR-TRE-c317dd82-56
0.242
MAR-TRE-799db12b-60
0.242
RUB-POS-1325a9ea-2
0.242
MIC-UNK-50cce87d-1
0.242
MAR-TRE-4f781e27-34
0.242
RAL-THA-2d450e86-27
0.242
RAL-THA-2d450e86-35
0.242
MAR-TRE-4f781e27-15
0.242
MAR-TRE-a9136c7b-28
0.242
MAR-TRE-799db12b-63
0.242
MAR-TRE-4f781e27-12
0.241
DAR-DIA-03336633-15
0.241
TAM-UNI-c140e31a-3
0.241
MAT-POS-54c4bf04-2
0.240
MAR-TRE-c8530538-97
0.240
MAK-UNK-f203cb68-13
0.240
MAR-TRE-74c6519b-100
0.240
MAK-UNK-f2409524-15
0.240
MAR-TRE-be9ff7d2-37
0.240
RAL-THA-2d450e86-6
0.240
MAK-UNK-129dcd6f-7
0.240
MAR-TRE-66ac689e-36
0.240
RAL-THA-2d450e86-9
0.240
DAR-DIA-6a49afbe-8
0.240
MAR-TRE-66ac689e-50
0.239
GIA-UNK-995df016-14
0.239
ASH-UNK-40b46b30-7
0.238
HAN-NEW-5f56c3bc-1
0.238
MAR-TRE-c8530538-53
0.237