Molecular Properties | |
SMILES: | Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(N)nc2)cc1 |
MW: | 324.16 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.32 |
cLogP: | 2.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-3e4e6814-96
0.440
MAR-TRE-9c797165-84
0.432
MAR-TRE-67513f76-31
0.432
MAR-TRE-3e4e6814-58
0.429
MAR-TRE-9c797165-4
0.422
MAR-TRE-7f7bb9f0-86
0.415
MAR-TRE-9c797165-77
0.412
MAR-TRE-b77b7921-72
0.409
MAR-TRE-74c6519b-50
0.404
MAR-TRE-74c6519b-24
0.402
MAR-TRE-67513f76-75
0.397
MAR-TRE-f6f5f473-9
0.396
MAR-TRE-7f7bb9f0-67
0.393
MAR-TRE-f6f5f473-14
0.388
MAR-TRE-f6f5f473-56
0.384
MAR-TRE-67513f76-99
0.378
MAR-TRE-9c797165-44
0.375
MAR-TRE-7f7bb9f0-21
0.374
MAR-TRE-3e4e6814-23
0.370
MAR-TRE-67513f76-3
0.364
MAR-TRE-4b834d9a-58
0.363
MAR-TRE-d0525fbf-50
0.360
MAR-TRE-4b834d9a-65
0.358
MAR-TRE-7f7bb9f0-11
0.356
MAR-TRE-7f7bb9f0-14
0.352
MAR-TRE-67513f76-14
0.345
MAR-TRE-04c86cea-44
0.344
MAR-TRE-f6f5f473-69
0.340
MAR-TRE-7f7bb9f0-20
0.337
MAR-TRE-7f7bb9f0-45
0.337
MAR-TRE-f6f5f473-8
0.337
MAR-TRE-9c797165-70
0.333
MAR-TRE-4b834d9a-89
0.333
MAR-TRE-3e4e6814-87
0.333
MAR-TRE-74c6519b-53
0.333
MAR-TRE-f6f5f473-28
0.333
MAR-TRE-74c6519b-46
0.333
MAR-TRE-67513f76-35
0.330
MAR-TRE-f6f5f473-77
0.330
MAR-TRE-b77b7921-63
0.326
MAR-TRE-3e4e6814-39
0.326
MAR-TRE-04c86cea-62
0.323
MAR-TRE-d0525fbf-82
0.319
MAR-TRE-f6f5f473-74
0.319
MAR-TRE-74c6519b-52
0.319
MAR-TRE-67513f76-44
0.318
MAR-TRE-67513f76-47
0.318
MAR-TRE-7f7bb9f0-13
0.317
MAR-TRE-74c6519b-48
0.316
MAR-TRE-9c797165-2
0.315
MAR-TRE-f6f5f473-63
0.311
MAR-TRE-74c6519b-12
0.310
MAR-TRE-7f7bb9f0-63
0.309
MAR-TRE-9c797165-33
0.305
MAR-TRE-f6f5f473-73
0.305
MAR-TRE-7f7bb9f0-99
0.304
MAR-TRE-04c86cea-38
0.303
MAR-TRE-f6f5f473-91
0.302
MAR-TRE-04c86cea-78
0.302
MAR-TRE-f6f5f473-97
0.297
MAR-TRE-7f7bb9f0-26
0.296
MAR-TRE-f6f5f473-90
0.296
MAR-TRE-f6f5f473-87
0.293
AAR-POS-5507155c-2
0.290
LON-WEI-120e5cf5-17
0.290
LON-WEI-120e5cf5-1
0.290
AAR-POS-f650c5f2-4
0.290
MAR-TRE-74c6519b-75
0.284
DRA-CSI-0a78d9ba-6
0.282
MAR-TRE-04c86cea-84
0.278
MAR-TRE-7f7bb9f0-47
0.277
MAR-TRE-d0525fbf-30
0.275
MAR-TRE-9c797165-79
0.273
MAR-TRE-3e4e6814-70
0.270
EDG-MED-0da5ad92-13
0.270
MAR-TRE-f6f5f473-54
0.269
MAR-TRE-f6f5f473-39
0.268
MAR-TRE-3e4e6814-71
0.266
MAR-TRE-4b834d9a-56
0.264
MAR-TRE-f6f5f473-93
0.261
MAR-TRE-04c86cea-85
0.261
COM-UCB-1ef4e90e-5
0.260
DRA-CSI-0a78d9ba-13
0.257
MAR-TRE-04c86cea-73
0.257
MAR-TRE-04c86cea-12
0.257
MAR-TRE-9c797165-86
0.255
JAN-GHE-83b26c96-11
0.253
MAR-TRE-67513f76-96
0.253
MAR-TRE-2fd8122f-6
0.252
MAR-TRE-d0525fbf-53
0.250
MAR-TRE-f6f5f473-66
0.250
MAR-TRE-2fd8122f-64
0.250
LON-WEI-4d77710c-35
0.248
LON-WEI-5e7d1b3e-35
0.248
MAT-POS-b5746674-108
0.248
MAR-TRE-f6f5f473-61
0.248
MAK-UNK-90d0606b-10
0.248
MAR-TRE-87acfbcc-84
0.248
MAR-TRE-04c86cea-19
0.247
MAR-TRE-d0525fbf-63
0.247