Molecular Properties | |
SMILES: | CC(C)(C)[C@@H](N)C(=O)Nc1ccc(N2CCOCC2)nc1 |
MW: | 292.19 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.48 |
cLogP: | 1.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-67513f76-86
0.733
MAR-TRE-9c797165-58
0.627
MAR-TRE-9c797165-69
0.585
MAR-TRE-9c797165-32
0.575
MAR-TRE-4b834d9a-64
0.543
MAR-TRE-67513f76-60
0.493
MAR-TRE-9c797165-28
0.424
MAR-TRE-67513f76-64
0.423
MAR-TRE-6a44bbf2-67
0.397
MAR-TRE-7f7bb9f0-37
0.344
MAR-TRE-f5c2d31c-99
0.337
MAR-TRE-f5c2d31c-96
0.333
MAR-TRE-f6f5f473-76
0.333
MAR-TRE-d0525fbf-87
0.333
MAR-TRE-f5c2d31c-38
0.330
MAR-TRE-67513f76-93
0.321
MAR-TRE-f5c2d31c-74
0.319
MAR-TRE-f5c2d31c-18
0.316
MAR-TRE-f5c2d31c-42
0.316
MAR-TRE-f5c2d31c-81
0.315
MAR-TRE-3e4e6814-57
0.315
MAR-TRE-f5c2d31c-70
0.312
MAR-TRE-fd17a9b8-49
0.312
MAR-TRE-9c797165-13
0.310
MAR-TRE-74c6519b-96
0.309
MAR-TRE-d0525fbf-99
0.309
MAR-TRE-67513f76-9
0.309
MAR-TRE-9c797165-37
0.308
MAR-TRE-3159af1a-17
0.306
MAR-TRE-f5c2d31c-52
0.305
MAR-TRE-3e4e6814-13
0.303
MAR-TRE-9c797165-3
0.302
MAR-TRE-9c797165-90
0.299
MAR-TRE-67513f76-74
0.299
MAR-TRE-f6f5f473-28
0.296
MAR-TRE-f5c2d31c-35
0.296
MAR-TRE-f5c2d31c-13
0.296
JOH-UNI-522b0723-10
0.295
MAR-TRE-f5c2d31c-63
0.293
MAR-TRE-f5c2d31c-83
0.293
MAR-TRE-2fd8122f-89
0.292
MAR-TRE-7f7bb9f0-11
0.291
MAR-TRE-fd17a9b8-85
0.290
MAR-TRE-f5c2d31c-85
0.290
MAR-TRE-b77b7921-30
0.289
MAR-TRE-f5c2d31c-20
0.289
MAR-TRE-f5c2d31c-36
0.289
MAR-TRE-67513f76-84
0.287
MAR-TRE-f5c2d31c-19
0.287
MAR-TRE-b77b7921-9
0.284
MAR-TRE-67513f76-89
0.284
MAR-TRE-f5c2d31c-37
0.283
MAR-TRE-7f7bb9f0-47
0.282
MAR-TRE-f5c2d31c-9
0.281
MAR-TRE-74c6519b-90
0.280
MAR-TRE-f5c2d31c-27
0.278
MAR-TRE-f5c2d31c-28
0.278
MAR-TRE-67513f76-12
0.277
MAR-TRE-67513f76-80
0.276
JOH-UNI-abdb2f0c-1
0.275
MAR-TRE-2fd8122f-96
0.275
MAR-TRE-7f7bb9f0-82
0.275
MAR-TRE-f6f5f473-63
0.274
WIL-LEE-23e8b574-8
0.274
MAR-TRE-3e4e6814-16
0.274
MAR-TRE-67513f76-75
0.273
WIL-NOV-649f4ed0-5
0.273
MAR-TRE-f5c2d31c-57
0.271
MAR-TRE-4b834d9a-46
0.271
MAR-TRE-2fd8122f-88
0.269
MAR-TRE-f5c2d31c-29
0.268
MAR-TRE-3159af1a-52
0.267
MAR-TRE-9c797165-43
0.266
MAR-TRE-f5c2d31c-11
0.265
MAR-TRE-f5c2d31c-22
0.265
MAR-TRE-f5c2d31c-66
0.265
MAR-TRE-67513f76-47
0.265
MAR-TRE-67513f76-21
0.264
MAR-TRE-f5c2d31c-7
0.263
MAR-TRE-3159af1a-71
0.263
MAR-TRE-fd17a9b8-72
0.263
JOH-UNI-abdb2f0c-2
0.263
MAR-TRE-2fd8122f-35
0.263
MAR-TRE-9c797165-67
0.262
MAR-TRE-67513f76-16
0.261
MAK-UNK-de8f6d00-8
0.260
WIL-NOV-649f4ed0-2
0.258
MAR-TRE-67513f76-53
0.258
MAR-TRE-9c797165-16
0.258
MAR-TRE-fd17a9b8-97
0.257
MAR-TRE-f5c2d31c-39
0.257
MAR-TRE-f5c2d31c-54
0.257
MAR-TRE-f6f5f473-56
0.256
MAR-TRE-b77b7921-35
0.256
MAR-TRE-3e4e6814-92
0.255
MAR-TRE-f5c2d31c-33
0.255
MAR-TRE-74c6519b-52
0.253
SAD-SAT-135344c3-1
0.253
KEI-TRE-d5e2018a-13
0.253
BAR-COM-0f94fc3d-33
0.253