Molecular Properties | |
SMILES: | N[C@@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C1CCOCC1 |
MW: | 320.18 |
Fraction sp3: | 0.62 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 89.71 |
cLogP: | 0.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9c797165-28
0.676
MAR-TRE-67513f76-86
0.646
MAR-TRE-9c797165-83
0.627
MAR-TRE-9c797165-69
0.582
MAR-TRE-9c797165-32
0.532
MAR-TRE-4b834d9a-64
0.521
MAR-TRE-67513f76-60
0.474
MAR-TRE-67513f76-89
0.468
MAR-TRE-67513f76-80
0.462
MAR-TRE-9c797165-43
0.435
MAR-TRE-7f7bb9f0-82
0.400
MAR-TRE-6a44bbf2-67
0.382
MAR-TRE-4b834d9a-92
0.378
MAR-TRE-67513f76-64
0.373
MAR-TRE-67513f76-75
0.347
MAR-TRE-f6f5f473-76
0.337
MAR-TRE-d0525fbf-87
0.323
MAR-TRE-9c797165-90
0.316
MAR-TRE-9c797165-13
0.315
MAR-TRE-67513f76-9
0.312
MAR-TRE-9c797165-37
0.312
MAR-TRE-f5c2d31c-38
0.305
MAR-TRE-7f7bb9f0-37
0.305
MAR-TRE-67513f76-84
0.305
MAR-TRE-3e4e6814-57
0.304
MAR-TRE-b77b7921-9
0.302
MAR-TRE-74c6519b-90
0.298
MAR-TRE-2fd8122f-89
0.297
MAR-TRE-7f7bb9f0-11
0.295
MAR-TRE-f5c2d31c-96
0.295
MAR-TRE-3e4e6814-13
0.294
MAR-TRE-f5c2d31c-81
0.292
MAR-TRE-9c797165-16
0.289
JOH-UNI-522b0723-10
0.286
MAR-TRE-f5c2d31c-99
0.286
MAR-TRE-f5c2d31c-74
0.283
MAR-TRE-fd17a9b8-85
0.281
MAR-TRE-3159af1a-17
0.281
MAR-TRE-f5c2d31c-42
0.280
JOH-UNI-abdb2f0c-1
0.280
MAR-TRE-2fd8122f-96
0.280
MAR-TRE-b77b7921-30
0.280
MAR-TRE-f6f5f473-63
0.279
MAR-TRE-3e4e6814-16
0.278
MAR-TRE-9c797165-3
0.278
MAR-TRE-fd17a9b8-49
0.277
MAR-TRE-f5c2d31c-70
0.277
MAR-TRE-67513f76-1
0.277
MAR-TRE-4b834d9a-46
0.276
MAR-TRE-f5c2d31c-13
0.275
MAR-TRE-d0525fbf-99
0.275
MAR-TRE-74c6519b-96
0.275
MAR-TRE-67513f76-74
0.272
MAR-TRE-f6f5f473-28
0.271
MAR-TRE-f5c2d31c-52
0.270
MAR-TRE-f6f5f473-80
0.270
MAR-TRE-f5c2d31c-85
0.269
MAR-TRE-f5c2d31c-20
0.267
MAR-TRE-f5c2d31c-36
0.267
MAR-TRE-f5c2d31c-18
0.267
KEI-TRE-d5e2018a-52
0.266
MAR-TRE-67513f76-53
0.263
MAR-TRE-f5c2d31c-35
0.262
MAR-TRE-b77b7921-35
0.261
MAR-TRE-f5c2d31c-63
0.260
MAR-TRE-f5c2d31c-83
0.260
PET-SGC-cb83a00c-1
0.259
MAR-TRE-7f7bb9f0-47
0.258
MAR-TRE-f5c2d31c-27
0.257
MAR-TRE-dab8f6ea-39
0.255
BAR-COM-4e090d3a-58
0.255
MAR-TRE-67513f76-12
0.255
DAV-IMP-59dd6621-13
0.253
KEI-TRE-d5e2018a-32
0.253
MAR-TRE-3e4e6814-34
0.253
MAR-TRE-2fd8122f-31
0.253
MAR-TRE-b77b7921-95
0.253
MAR-TRE-f6f5f473-8
0.253
MAR-TRE-f5c2d31c-19
0.253
MAK-UNK-de8f6d00-8
0.252
MAR-TRE-dab8f6ea-19
0.250
MAR-TRE-8190bb11-56
0.250
MAR-TRE-f6f5f473-98
0.250
GIA-UNK-20b63697-2
0.250
WIL-LEE-23e8b574-8
0.250
MAR-TRE-fd17a9b8-97
0.250
ALP-POS-c0c213c9-12
0.248
MAR-TRE-3159af1a-52
0.248
MAR-TRE-f5c2d31c-37
0.247
MAR-TRE-2fd8122f-88
0.247
ASH-UNK-40b46b30-15
0.245
MAR-TRE-f5c2d31c-28
0.245
MAR-TRE-f5c2d31c-66
0.245
MAR-TRE-2fd8122f-55
0.245
MAR-TRE-7f7bb9f0-98
0.244
MAR-TRE-67513f76-3
0.244
JOH-UNI-abdb2f0c-3
0.244
MAR-TRE-04c86cea-84
0.244
GIA-UNK-30c7cb75-2
0.244
COM-UCB-8c7d23dc-16
0.243