Molecular Properties | |
SMILES: | Cc1ccc2[nH]cc(CC(Nc3cncnc3)C(=O)O)c2c1 |
MW: | 296.13 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 90.9 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-45
0.704
MAR-TRE-85681e92-20
0.699
MAR-TRE-85681e92-60
0.694
MAR-TRE-85681e92-64
0.564
MAR-TRE-be9ff7d2-10
0.459
MAR-TRE-85681e92-29
0.453
MAR-TRE-4f39ef4a-57
0.437
MAR-TRE-85681e92-46
0.429
MAR-TRE-4f781e27-26
0.427
MAR-TRE-85681e92-91
0.427
MAR-TRE-85681e92-73
0.426
MAR-TRE-c317dd82-38
0.422
MAR-TRE-85681e92-70
0.419
MAR-TRE-85681e92-57
0.418
MAR-TRE-04c86cea-51
0.418
MAR-TRE-85681e92-74
0.413
MAR-TRE-85681e92-78
0.395
MAR-TRE-85681e92-40
0.395
MAR-TRE-85681e92-42
0.395
MAR-TRE-85681e92-88
0.394
MAR-TRE-f5c2d31c-47
0.381
AMI-SHA-be6e1b75-1
0.381
AMI-SHA-0ab64bbd-1
0.381
MAR-TRE-4f781e27-69
0.363
MAR-TRE-c317dd82-56
0.359
MAR-TRE-4f781e27-6
0.359
MAR-TRE-85681e92-33
0.352
MAR-TRE-85681e92-92
0.343
MAR-UCB-195bc32d-4
0.338
MAR-TRE-85681e92-51
0.338
MAR-TRE-799db12b-12
0.337
MAR-TRE-be9ff7d2-73
0.333
MAR-TRE-92684b97-97
0.333
MAR-TRE-4f781e27-94
0.330
MAR-TRE-85681e92-12
0.326
MAR-TRE-85681e92-10
0.322
MAR-TRE-be9ff7d2-9
0.319
MAR-TRE-92684b97-67
0.319
ABI-SAT-30e287c1-2
0.317
SAN-PRS-3c4a6997-1
0.310
MAR-TRE-74c6519b-79
0.309
MAR-TRE-85681e92-39
0.308
MAR-TRE-f5c2d31c-88
0.306
MAR-TRE-be9ff7d2-21
0.304
ALE-ACE-2610ee4d-1
0.302
MAR-UCB-195bc32d-9
0.302
MAR-UCB-195bc32d-21
0.302
JOH-MSK-35a8745a-1
0.302
NAU-LAT-81109c57-1
0.300
MAR-TRE-e82e6c98-100
0.299
MAR-TRE-85681e92-34
0.298
MAR-UCB-195bc32d-16
0.298
JOH-MSK-a63bdd1d-4
0.298
AAR-POS-d2a4d1df-2
0.294
MAR-TRE-4f39ef4a-34
0.293
MAR-TRE-4f39ef4a-51
0.292
MAR-TRE-66ac689e-87
0.290
MAR-TRE-4f781e27-5
0.290
MAR-TRE-66ac689e-48
0.289
MAR-TRE-4f39ef4a-31
0.289
MAR-TRE-85681e92-49
0.287
MAR-TRE-85681e92-68
0.287
MAR-TRE-4f39ef4a-26
0.286
MAR-TRE-85681e92-37
0.286
JOH-MSK-a63bdd1d-5
0.286
NIC-BIO-3276ca7f-2
0.284
MAT-GIT-deadff56-1
0.284
DUN-NEW-f8ce3686-12
0.284
JOH-MEM-4bb7e4cc-1
0.284
MAR-TRE-85681e92-69
0.283
YIA-UNI-71f25a82-2
0.282
JOH-MSK-a63bdd1d-6
0.282
CUN-WAB-25b584ee-1
0.281
MAR-TRE-4f781e27-82
0.281
MAR-TRE-85681e92-53
0.281
MAR-TRE-92684b97-86
0.281
SAN-PRS-3c4a6997-4
0.279
MAR-TRE-66ac689e-81
0.278
MAR-TRE-a9136c7b-22
0.277
MAR-TRE-92684b97-5
0.277
MAR-TRE-92684b97-8
0.276
MAR-TRE-85681e92-83
0.275
MAR-TRE-85681e92-71
0.275
MAR-TRE-be9ff7d2-61
0.275
NIC-BIO-3276ca7f-7
0.274
MAR-TRE-a9136c7b-49
0.272
MAR-TRE-92684b97-71
0.270
MAK-UNK-be5ffcbc-8
0.270
MAR-TRE-4f781e27-56
0.269
MAR-TRE-66ac689e-52
0.268
MAR-TRE-92684b97-56
0.267
MAK-UNK-37f1d6fa-3
0.266
MAR-TRE-4f781e27-81
0.266
MAR-TRE-8190bb11-48
0.264
SCO-VAN-260d9628-5
0.264
MAR-TRE-92684b97-85
0.264
DAR-DIA-eace69ff-37
0.263
JAN-GHE-5a013bed-9
0.262
NAU-LAT-81109c57-8
0.261
MAR-TRE-be9ff7d2-7
0.260