Molecular Properties | |
SMILES: | O=C(c1cocn1)N(c1cccnc1)c1cnc(-c2ccsn2)[nH]1 |
MW: | 338.352 |
Fraction sp3: | 0.0 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 100.8 |
cLogP: | 2.8947 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
IAN-BAS-a5a0ad12-1
0.427
ALP-POS-88a7a97e-7
0.311
ALP-POS-88a7a97e-21
0.310
ALP-POS-88a7a97e-1
0.308
ALP-POS-88a7a97e-32
0.306
ALP-POS-88a7a97e-14
0.305
ALP-POS-88a7a97e-2
0.303
ALP-POS-88a7a97e-33
0.303
ALP-POS-88a7a97e-18
0.302
ALP-POS-88a7a97e-35
0.299
ALP-POS-88a7a97e-31
0.297
IAN-BAS-a0d88a3d-1
0.295
ALP-POS-88a7a97e-3
0.295
ALP-POS-88a7a97e-29
0.295
ALP-POS-88a7a97e-5
0.292
ALP-POS-88a7a97e-10
0.291
ALP-POS-88a7a97e-12
0.291
ALP-POS-88a7a97e-22
0.291
ALP-POS-88a7a97e-8
0.289
ALP-POS-88a7a97e-6
0.289
ALP-POS-88a7a97e-16
0.288
ALP-POS-88a7a97e-45
0.288
ALP-POS-88a7a97e-36
0.288
ALP-POS-88a7a97e-39
0.287
ALP-POS-88a7a97e-34
0.286
ALP-POS-88a7a97e-9
0.284
ALP-POS-88a7a97e-4
0.283
ALP-POS-88a7a97e-46
0.283
ALP-POS-88a7a97e-28
0.283
ALP-POS-88a7a97e-38
0.283
BEN-BAS-d50bea19-1
0.283
ALP-POS-42f3de95-2
0.280
ALP-POS-88a7a97e-15
0.280
ALP-POS-88a7a97e-41
0.280
ALP-POS-42f3de95-1
0.277
ALP-POS-88a7a97e-17
0.276
ALP-POS-88a7a97e-19
0.276
ALP-POS-88a7a97e-13
0.274
ALP-POS-ced8ea4d-28
0.271
ALP-POS-88a7a97e-11
0.271
ALP-POS-88a7a97e-30
0.271
ALP-POS-88a7a97e-48
0.271
ALP-POS-88a7a97e-44
0.270
ALP-POS-88a7a97e-26
0.269
ALP-POS-ced8ea4d-67
0.268
ALP-UNI-fe744232-3
0.268
ALP-UNI-fe744232-4
0.268
ALP-POS-88a7a97e-27
0.267
ALP-POS-88a7a97e-42
0.267
ALP-POS-95f71980-9
0.264
ALP-UNI-fe744232-16
0.264
ALP-POS-02c6a514-50
0.264
ALP-POS-88a7a97e-47
0.264
ALP-POS-88a7a97e-49
0.264
ALP-POS-ced8ea4d-34
0.264
ALP-POS-88a7a97e-20
0.264
ALP-UNI-fe744232-5
0.262
ALP-POS-88a7a97e-43
0.262
ALP-POS-95f71980-37
0.262
ALP-UNI-fe744232-21
0.262
ALP-POS-ced8ea4d-6
0.262
ALP-POS-95f71980-14
0.260
ALP-UNI-fe744232-6
0.260
ALP-UNI-fe744232-7
0.260
ALP-UNI-fe744232-18
0.260
ALP-POS-ced8ea4d-19
0.260
ALP-UNI-fe744232-30
0.260
ALP-POS-ced8ea4d-36
0.260
ALP-POS-88a7a97e-23
0.260
ALP-POS-88a7a97e-24
0.260
ALP-POS-88a7a97e-37
0.260
ALP-POS-88a7a97e-40
0.260
ALP-POS-ced8ea4d-1
0.259
ALP-POS-ced8ea4d-13
0.258
ALP-POS-ced8ea4d-22
0.258
ALP-UNI-fe744232-29
0.258
ALP-POS-95f71980-34
0.258
ALP-UNI-fe744232-10
0.256
ALP-POS-ced8ea4d-27
0.256
ALP-POS-ced8ea4d-52
0.256
ALP-POS-ced8ea4d-5
0.256
ALP-POS-ced8ea4d-59
0.256
ALP-POS-ced8ea4d-65
0.256
WIL-UNI-5578df48-39
0.255
ALP-POS-ced8ea4d-7
0.254
ALP-UNI-fe744232-24
0.254
ALP-POS-95f71980-36
0.254
ALP-POS-ced8ea4d-9
0.252
ALP-POS-ced8ea4d-54
0.252
ALP-POS-42f3de95-3
0.252
ALP-POS-95f71980-31
0.252
ALP-UNI-fe744232-12
0.252
ALP-POS-ced8ea4d-24
0.252
ALP-POS-ced8ea4d-38
0.252
ALP-UNI-fe744232-27
0.250
ALP-POS-ced8ea4d-21
0.250
ALP-POS-95f71980-27
0.248
ALP-POS-95f71980-35
0.248
ALP-POS-88a7a97e-25
0.248
ALP-UNI-fe744232-8
0.248