Molecular Properties | |
SMILES: | Nc1ccc(CC(=O)Nc2ccc(N3CCOCC3)nc2)nc1 |
MW: | 313.15 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 93.37 |
cLogP: | 1.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-9c797165-69
0.514
MAR-TRE-67513f76-86
0.507
MAR-TRE-4b834d9a-64
0.500
MAR-TRE-9c797165-83
0.493
MAR-TRE-9c797165-58
0.474
MAR-TRE-9c797165-32
0.440
MAR-TRE-6a44bbf2-67
0.403
MAR-TRE-67513f76-9
0.358
MAR-TRE-b77b7921-9
0.347
PET-SGC-6016d8e6-1
0.344
MAR-TRE-f6f5f473-76
0.340
MAR-TRE-7f7bb9f0-37
0.337
MAR-TRE-9c797165-28
0.337
MAR-TRE-3e4e6814-16
0.337
MAR-TRE-67513f76-35
0.333
MAR-TRE-d0525fbf-99
0.317
MAR-TRE-74c6519b-90
0.316
MAR-TRE-d0525fbf-87
0.313
MAR-TRE-7f7bb9f0-63
0.311
MAR-TRE-9c797165-3
0.311
MAR-TRE-f5c2d31c-38
0.309
MAR-TRE-9c797165-33
0.308
MAR-TRE-4b834d9a-46
0.306
MAR-TRE-9c797165-13
0.304
MAR-TRE-9c797165-2
0.302
MAR-TRE-9c797165-37
0.302
MAR-TRE-67513f76-64
0.300
MAR-TRE-67513f76-75
0.300
MAR-TRE-f5c2d31c-96
0.299
MAR-TRE-67513f76-84
0.296
MAR-TRE-f5c2d31c-81
0.296
MAR-TRE-67513f76-74
0.293
MAR-TRE-67513f76-3
0.292
MAR-TRE-2fd8122f-94
0.292
MAR-TRE-f5c2d31c-13
0.291
JOH-UNI-522b0723-10
0.290
GIA-UNK-3f36037a-2
0.287
MAR-TRE-67513f76-14
0.287
MAR-TRE-3e4e6814-13
0.286
MAR-TRE-67513f76-12
0.286
MAR-TRE-67513f76-99
0.286
MAR-TRE-3159af1a-17
0.286
MAR-TRE-f5c2d31c-42
0.284
MAR-TRE-b77b7921-30
0.284
MAR-TRE-f5c2d31c-19
0.283
MAK-UNK-de8f6d00-8
0.280
MAR-TRE-f5c2d31c-37
0.278
MAR-TRE-f5c2d31c-99
0.277
MAR-TRE-8190bb11-7
0.275
MAR-TRE-2fd8122f-89
0.274
MAR-TRE-04c86cea-34
0.273
MAR-TRE-67513f76-1
0.269
MAR-TRE-fd17a9b8-49
0.269
MAR-TRE-f5c2d31c-70
0.269
MAR-TRE-7f7bb9f0-14
0.269
BAR-COM-4e090d3a-66
0.267
MAR-TRE-3e4e6814-22
0.267
MAR-TRE-7f7bb9f0-45
0.267
MAR-TRE-74c6519b-96
0.267
MAR-TRE-f6f5f473-56
0.267
MAR-TRE-2fd8122f-99
0.267
MAR-TRE-fd17a9b8-97
0.267
PET-SGC-cb83a00c-1
0.264
MAR-TRE-7f7bb9f0-20
0.264
MAR-TRE-f5c2d31c-83
0.264
SAD-SAT-f25ee457-3
0.264
MAR-TRE-74c6519b-53
0.264
MAR-TRE-04c86cea-78
0.263
MAR-TRE-d0525fbf-30
0.263
MAR-TRE-f5c2d31c-28
0.262
MAR-TRE-4b834d9a-89
0.261
MAR-TRE-67513f76-44
0.261
MAR-TRE-2fd8122f-35
0.260
MAR-TRE-f5c2d31c-20
0.260
MAR-TRE-f5c2d31c-36
0.260
MAR-TRE-f5c2d31c-18
0.260
MAR-TRE-9c797165-70
0.259
MAR-TRE-b77b7921-63
0.258
EDG-MED-0da5ad92-13
0.256
MAR-TRE-f6f5f473-39
0.255
MAR-TRE-f6f5f473-98
0.255
MAR-TRE-f5c2d31c-35
0.255
MAR-TRE-f6f5f473-73
0.253
MAR-TRE-74c6519b-48
0.253
MAR-TRE-3e4e6814-79
0.253
MAR-TRE-f5c2d31c-9
0.252
MAR-TRE-f5c2d31c-33
0.252
MAR-TRE-3159af1a-52
0.252
MAR-TRE-f5c2d31c-63
0.252
MAR-TRE-7f7bb9f0-99
0.250
JAG-UCB-cedd89ab-9
0.250
MAR-TRE-04c86cea-84
0.250
MAR-TRE-f5c2d31c-11
0.250
MAR-TRE-f5c2d31c-22
0.250
MAR-TRE-f5c2d31c-27
0.250
MAR-TRE-f5c2d31c-52
0.250
MAR-TRE-f5c2d31c-66
0.250
MAR-TRE-f5c2d31c-74
0.250
MAR-TRE-3159af1a-71
0.248
MAR-TRE-fd17a9b8-85
0.248