Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cn1 |
MW: | 316.12 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 114.62 |
cLogP: | -0.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
Filter78_bicyclic_Imide
aniline
cytochalasin
MAR-TRE-7f7bb9f0-14
0.691
MAR-TRE-7f7bb9f0-11
0.541
MAR-TRE-74c6519b-53
0.514
MAR-TRE-b77b7921-63
0.500
MAR-TRE-04c86cea-44
0.494
MAR-TRE-04c86cea-62
0.464
MAR-TRE-7f7bb9f0-20
0.446
MAR-TRE-67513f76-99
0.438
MAR-TRE-2fd8122f-72
0.438
MAR-TRE-67513f76-14
0.434
MAR-TRE-7f7bb9f0-45
0.423
MAR-TRE-67513f76-75
0.403
MAR-TRE-9c797165-2
0.397
MAR-TRE-9c797165-70
0.387
MAR-TRE-7f7bb9f0-86
0.385
MAR-TRE-67513f76-44
0.385
MAR-TRE-7f7bb9f0-99
0.383
MAR-TRE-9c797165-77
0.382
MAR-TRE-9c797165-44
0.378
MAR-TRE-4b834d9a-89
0.367
MAR-TRE-74c6519b-29
0.364
MAR-TRE-3e4e6814-39
0.358
MAR-TRE-9c797165-84
0.350
MAR-TRE-3e4e6814-87
0.350
MAR-TRE-f6f5f473-28
0.350
MAR-TRE-d0525fbf-82
0.349
MAR-TRE-7f7bb9f0-67
0.349
MAR-TRE-3e4e6814-96
0.345
MAR-TRE-7f7bb9f0-21
0.345
MAR-TRE-74c6519b-48
0.344
MAR-TRE-67513f76-35
0.344
MAR-TRE-9c797165-4
0.341
MAR-TRE-d0525fbf-30
0.341
MAR-TRE-f6f5f473-56
0.337
MAR-TRE-9c797165-33
0.333
MAR-TRE-74c6519b-46
0.333
MAR-TRE-f6f5f473-73
0.333
MAR-TRE-3e4e6814-58
0.333
MAR-TRE-74c6519b-24
0.330
MAR-TRE-74c6519b-50
0.330
MAR-TRE-b77b7921-72
0.323
MAR-TRE-f6f5f473-90
0.322
MAR-TRE-f6f5f473-9
0.322
MAR-TRE-7f7bb9f0-63
0.322
MAR-TRE-f6f5f473-74
0.318
MAR-TRE-67513f76-47
0.317
MAR-TRE-7f7bb9f0-13
0.316
MAR-TRE-04c86cea-38
0.315
MAR-TRE-f6f5f473-77
0.315
MAR-TRE-04c86cea-78
0.315
MAR-TRE-67513f76-31
0.311
MAR-TRE-3e4e6814-23
0.311
MAR-TRE-74c6519b-12
0.309
MAR-TRE-f6f5f473-8
0.308
MAR-TRE-b77b7921-91
0.302
MAR-TRE-74c6519b-52
0.302
MAR-TRE-7f7bb9f0-47
0.302
MAR-TRE-4b834d9a-65
0.301
MAR-TRE-f6f5f473-14
0.298
MAR-TRE-4b834d9a-58
0.297
MAR-TRE-2fd8122f-49
0.297
MAR-TRE-f6f5f473-69
0.297
MAR-TRE-f6f5f473-97
0.294
MAR-TRE-d0525fbf-50
0.293
MAR-TRE-67513f76-60
0.292
MAR-TRE-f6f5f473-39
0.292
MAR-TRE-04c86cea-84
0.289
MAR-TRE-f6f5f473-91
0.286
MAR-TRE-2fd8122f-91
0.283
MAR-TRE-4b834d9a-45
0.283
KEI-TRE-d5e2018a-37
0.283
MAR-TRE-7f7bb9f0-26
0.280
MAR-TRE-3e4e6814-16
0.278
MAR-TRE-2fd8122f-54
0.275
MAR-TRE-04c86cea-19
0.270
MAR-TRE-2fd8122f-43
0.269
KEI-TRE-d5e2018a-6
0.268
MAR-TRE-7f7bb9f0-84
0.268
MAR-TRE-2fd8122f-9
0.268
MAR-TRE-04c86cea-34
0.268
MAR-TRE-67513f76-90
0.267
MAR-TRE-3e4e6814-22
0.263
MAR-TRE-b77b7921-9
0.263
NAU-LAT-64f4b287-10
0.261
MAR-TRE-b77b7921-75
0.261
MAR-TRE-67513f76-85
0.258
MAR-TRE-74c6519b-90
0.258
YOI-UNK-4c10088f-1
0.257
MAR-TRE-f6f5f473-81
0.256
MAR-TRE-b77b7921-52
0.255
MAR-TRE-4b834d9a-48
0.253
MAR-TRE-f6f5f473-37
0.253
MAR-TRE-67513f76-84
0.253
MAR-TRE-3e4e6814-74
0.253
MAR-TRE-4b834d9a-46
0.250
MAR-TRE-74c6519b-69
0.250
MAR-TRE-9c797165-86
0.250
MAR-TRE-67513f76-9
0.248
MAR-TRE-f6f5f473-67
0.247
MAR-TRE-4b834d9a-64
0.247