Molecular Properties | |
SMILES: | Cc1nc(-c2c(C#N)n(-c3cccnc3)c(=O)n2-c2cccc(F)c2)co1 |
MW: | 361.336 |
Fraction sp3: | 0.05 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 89.64 |
cLogP: | 2.9974 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
MAK-UNK-9e4a73aa-33
0.327
MAK-UNK-9e4a73aa-35
0.320
MAK-UNK-9e4a73aa-34
0.313
RAI-NOV-c18e0037-3
0.310
PET-UNK-94460c07-5
0.305
RAI-NOV-c18e0037-7
0.303
MAK-UNK-9e4a73aa-21
0.303
MAK-UNK-9e4a73aa-20
0.300
MAK-UNK-9e4a73aa-18
0.298
RAI-NOV-c18e0037-2
0.296
MAK-UNK-9e4a73aa-23
0.296
MAK-UNK-9e4a73aa-22
0.296
MAK-UNK-9e4a73aa-25
0.296
MAK-UNK-9e4a73aa-26
0.296
MAK-UNK-9e4a73aa-27
0.296
MAK-UNK-9e4a73aa-24
0.296
MAK-UNK-9e4a73aa-12
0.293
MAK-UNK-9e4a73aa-11
0.292
MAK-UNK-9e4a73aa-36
0.291
PET-UNK-94460c07-6
0.290
MAK-UNK-9e4a73aa-8
0.290
MAK-UNK-9e4a73aa-32
0.286
MAK-UNK-9e4a73aa-19
0.283
MAK-UNK-9e4a73aa-17
0.279
MAK-UNK-9e4a73aa-10
0.276
NIM-UNI-36e12f95-5
0.276
MAK-UNK-9e4a73aa-3
0.269
MAK-UNK-9e4a73aa-7
0.265
MAR-TRE-74c6519b-26
0.264
RAI-NOV-c18e0037-4
0.263
NIM-UNI-0ea3b7bf-4
0.262
NIM-UNI-0ea3b7bf-3
0.262
PET-UNK-4dc48bbe-5
0.260
RAI-NOV-c18e0037-1
0.260
MAK-UNK-9e4a73aa-9
0.257
RAI-NOV-c18e0037-5
0.257
WAR-XCH-bdd24732-17
0.255
KEN-MCD-4729dc98-1
0.254
WAR-XCH-bdd24732-18
0.250
ALP-UNI-fe744232-3
0.248
PET-UNK-4dc48bbe-3
0.248
DAR-DIA-fc970077-3
0.244
ZAC-MCD-b48cf8fd-1
0.244
MAR-TRE-3e4e6814-91
0.244
MAK-UNK-9e4a73aa-28
0.240
PET-UNK-7a31b064-5
0.240
NIM-UNI-7f77122c-1
0.240
MAR-TRE-f6f5f473-22
0.239
AUS-ARG-7cfdce8f-10
0.239
TAT-ENA-80bfd3e5-49
0.238
ALP-POS-b0bc6a46-24
0.238
ALP-POS-02c6a514-39
0.238
RAI-NOV-c18e0037-6
0.236
NIM-UNI-534877e5-2
0.236
MAR-TRE-04c86cea-60
0.235
DAR-DIA-bd041b9b-26
0.235
MAR-TRE-d0525fbf-8
0.233
ALP-POS-95f71980-26
0.233
JAN-GHE-4287bd1a-3
0.232
MAK-UNK-9e4a73aa-31
0.231
ALP-POS-ced8ea4d-21
0.231
DAR-DIA-fc970077-6
0.231
MAK-UNK-9e4a73aa-14
0.229
ALP-POS-ced8ea4d-13
0.228
NIM-UNI-36e12f95-3
0.228
ALP-POS-95f71980-40
0.227
MAR-TRE-04c86cea-13
0.226
ALP-POS-ced8ea4d-34
0.226
VLA-UNK-792b5d03-4
0.226
DAR-DIA-fc970077-1
0.225
DAR-DIA-fc970077-8
0.224
PET-UNK-7a31b064-6
0.224
ADA-UCB-6c2cb422-6
0.224
MAR-TRE-b77b7921-49
0.224
ALP-POS-ced8ea4d-20
0.224
ALP-POS-ced8ea4d-53
0.224
DAR-DIA-fc970077-5
0.223
PET-UNK-4dc48bbe-1
0.223
DRV-DNY-3e405af9-5
0.223
ALP-POS-ced8ea4d-7
0.223
ALP-POS-42f3de95-3
0.223
ALP-POS-ced8ea4d-36
0.222
ALP-POS-02c6a514-47
0.221
ALP-POS-b0bc6a46-28
0.221
FRA-BIO-8bf1eac9-1
0.221
ALP-POS-95b75b4d-14
0.221
KEI-TRE-d5e2018a-25
0.221
ALV-UNI-7ff1a6f9-8
0.221
ALP-POS-95f71980-28
0.221
MAK-UNK-148caf23-23
0.220
ALP-POS-780445ae-6
0.220
WIL-UNI-354943b6-2
0.220
ARI-TAT-5792557e-12
0.220
MAR-TRE-a3327163-67
0.220
ALP-POS-95f71980-3
0.220
BAR-COM-4e090d3a-2
0.220
ALP-POS-ced8ea4d-28
0.220
MAR-TRE-f6f5f473-11
0.219
NIM-UNI-0ea3b7bf-1
0.219
NIM-UNI-534877e5-1
0.219