Molecular Properties | |
SMILES: | O=C(c1cocn1)N(c1cccnc1)c1ncc(Oc2ccccc2)[nH]1 |
MW: | 347.334 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.14 |
cLogP: | 3.5635 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
BEN-BAS-ec4a2f8b-1
0.427
IAN-BAS-5ff43d1c-1
0.323
ALP-POS-ced8ea4d-28
0.319
JAC-SHE-fc18d444-1
0.306
ALP-POS-88a7a97e-33
0.306
DAR-DIA-fc970077-14
0.304
WIL-UNI-5578df48-6
0.302
ALP-POS-ced8ea4d-55
0.302
ALP-POS-88a7a97e-1
0.298
WIL-UNI-5578df48-5
0.298
ALP-POS-88a7a97e-32
0.297
ALP-POS-ced8ea4d-54
0.297
ALP-UNI-fe744232-5
0.297
ALP-POS-88a7a97e-48
0.296
ALP-POS-88a7a97e-14
0.295
ALP-POS-88a7a97e-5
0.295
ALP-POS-88a7a97e-44
0.294
ALP-UNI-fe744232-7
0.294
ALP-POS-88a7a97e-2
0.294
WIL-UNI-5578df48-7
0.293
ALP-POS-ced8ea4d-64
0.293
ALP-POS-88a7a97e-18
0.292
ALP-POS-88a7a97e-8
0.292
ALP-POS-ced8ea4d-67
0.292
ALP-POS-88a7a97e-35
0.290
ALP-POS-88a7a97e-7
0.290
ALP-POS-88a7a97e-17
0.289
ALP-POS-ced8ea4d-52
0.289
ALP-POS-95f71980-13
0.289
ALP-POS-88a7a97e-34
0.288
ALP-POS-88a7a97e-31
0.288
ALP-POS-95f71980-9
0.288
ALP-POS-88a7a97e-29
0.286
ALP-POS-88a7a97e-38
0.286
ALP-POS-88a7a97e-3
0.286
ALP-POS-ced8ea4d-6
0.283
ALP-POS-ced8ea4d-19
0.283
ALP-UNI-fe744232-30
0.282
ALP-POS-88a7a97e-10
0.282
ALP-POS-88a7a97e-12
0.282
ALP-POS-88a7a97e-22
0.282
ALP-UNI-fe744232-8
0.281
ALP-POS-88a7a97e-36
0.280
ALP-UNI-fe744232-10
0.280
ALP-POS-ced8ea4d-27
0.280
ALP-POS-88a7a97e-45
0.279
ALP-POS-88a7a97e-16
0.279
ALP-POS-88a7a97e-19
0.278
ALP-UNI-fe744232-24
0.277
ALP-UNI-fe744232-16
0.277
ALP-POS-ced8ea4d-15
0.277
ALP-POS-ced8ea4d-51
0.276
ALP-POS-88a7a97e-49
0.276
ALP-POS-ced8ea4d-12
0.276
ALP-POS-88a7a97e-13
0.276
ALP-POS-88a7a97e-43
0.275
ALP-POS-ced8ea4d-18
0.275
ALP-POS-88a7a97e-28
0.274
ALP-POS-88a7a97e-4
0.274
ALP-POS-88a7a97e-46
0.274
ALP-POS-95f71980-26
0.273
ALP-UNI-fe744232-6
0.273
ALP-UNI-fe744232-27
0.273
ALP-POS-ced8ea4d-58
0.272
ALP-POS-88a7a97e-41
0.271
ALP-POS-42f3de95-2
0.271
ALP-POS-88a7a97e-15
0.271
WIL-UNI-5578df48-2
0.271
ALP-POS-ced8ea4d-41
0.270
ALP-POS-88a7a97e-6
0.270
ALP-UNI-fe744232-29
0.270
ALP-UNI-fe744232-4
0.270
ALP-UNI-fe744232-20
0.270
ALP-POS-95f71980-3
0.270
ALP-POS-ced8ea4d-44
0.270
ALP-POS-88a7a97e-42
0.269
ALP-POS-88a7a97e-21
0.269
ALP-POS-42f3de95-1
0.269
ALP-POS-ced8ea4d-49
0.268
ALP-POS-ced8ea4d-5
0.268
ALP-POS-ced8ea4d-11
0.268
ALP-POS-ced8ea4d-39
0.268
ALP-POS-95f71980-40
0.268
ALP-POS-88a7a97e-39
0.267
ALP-POS-ced8ea4d-7
0.267
ALP-POS-ced8ea4d-31
0.267
ALP-POS-02c6a514-50
0.267
ALP-POS-88a7a97e-9
0.265
BEN-BAS-edf2ae6d-1
0.265
BEN-BAS-589c65df-1
0.265
ALP-POS-ced8ea4d-9
0.264
ALP-POS-ced8ea4d-62
0.264
ALP-UNI-fe744232-21
0.264
ALP-UNI-fe744232-12
0.264
ALP-UNI-fe744232-28
0.264
ALP-POS-95f71980-37
0.264
ALP-POS-ced8ea4d-35
0.264
ALP-POS-88a7a97e-11
0.263
ALP-POS-88a7a97e-30
0.263
MIC-SGC-657978c3-5
0.263