Molecular Properties | |
SMILES: | CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(N)nc2)[C@@H]1c1ccccc1OC |
MW: | 396.22 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 97.55 |
cLogP: | 3.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-b77b7921-72
0.505
MAR-TRE-74c6519b-29
0.388
MAR-TRE-4b834d9a-58
0.387
MAR-TRE-2fd8122f-75
0.385
MAR-TRE-f6f5f473-74
0.376
MAR-TRE-74c6519b-50
0.373
MAR-TRE-7f7bb9f0-86
0.365
MAR-TRE-3e4e6814-58
0.364
MAR-TRE-7f7bb9f0-67
0.363
MAR-TRE-9c797165-77
0.362
MAR-TRE-3e4e6814-96
0.360
MAR-TRE-f6f5f473-9
0.352
MAR-TRE-7f7bb9f0-21
0.346
MAR-TRE-9c797165-4
0.343
MAR-TRE-3e4e6814-23
0.343
MAR-TRE-f6f5f473-8
0.340
MAR-TRE-74c6519b-46
0.337
MAR-TRE-f6f5f473-73
0.337
MAR-TRE-67513f76-31
0.330
MAR-TRE-3e4e6814-39
0.330
MAR-TRE-f6f5f473-90
0.327
MAR-TRE-d0525fbf-82
0.324
MAR-TRE-9c797165-84
0.323
MAR-TRE-74c6519b-24
0.321
MAR-TRE-67513f76-99
0.320
MAR-TRE-67513f76-75
0.319
MAR-TRE-f6f5f473-69
0.318
MAR-TRE-9c797165-44
0.316
MAR-TRE-04c86cea-62
0.315
MAR-TRE-04c86cea-44
0.309
MAR-TRE-7f7bb9f0-45
0.301
MAR-TRE-7f7bb9f0-20
0.300
MAR-TRE-67513f76-3
0.298
MAR-TRE-4b834d9a-65
0.297
MAR-TRE-3e4e6814-87
0.297
MAT-POS-b5746674-93
0.292
MAR-TRE-7f7bb9f0-14
0.290
MAR-TRE-d0525fbf-72
0.289
MAR-TRE-74c6519b-52
0.286
MAR-TRE-74c6519b-53
0.286
MAR-TRE-f6f5f473-77
0.284
MAR-TRE-4b834d9a-89
0.284
MAR-TRE-67513f76-47
0.284
MAR-TRE-67513f76-14
0.282
MAR-TRE-7f7bb9f0-11
0.280
MAR-TRE-b77b7921-63
0.280
MAR-TRE-d0525fbf-50
0.280
MAR-TRE-7f7bb9f0-13
0.276
MAR-TRE-74c6519b-48
0.274
MAR-TRE-7f7bb9f0-47
0.274
MAR-TRE-f6f5f473-91
0.273
MAR-TRE-f6f5f473-28
0.272
MAR-TRE-f6f5f473-4
0.271
MAR-TRE-d0525fbf-87
0.271
MAR-TRE-04c86cea-79
0.270
MAK-UNK-90d0606b-10
0.270
MAR-TRE-2fd8122f-50
0.270
MAR-TRE-9c797165-70
0.270
MAR-TRE-9c797165-2
0.269
MAR-TRE-2fd8122f-48
0.267
MAR-TRE-74c6519b-51
0.266
MAR-TRE-67513f76-35
0.263
MAR-TRE-b77b7921-15
0.262
AAR-POS-f650c5f2-4
0.262
LON-WEI-120e5cf5-1
0.262
AAR-POS-5507155c-2
0.262
LON-WEI-120e5cf5-17
0.262
MAR-TRE-2fd8122f-12
0.261
MAR-TRE-2fd8122f-87
0.261
MAR-TRE-67513f76-44
0.260
MAR-TRE-f6f5f473-97
0.255
MAR-TRE-2fd8122f-74
0.254
MAR-TRE-04c86cea-38
0.252
MAR-TRE-7f7bb9f0-99
0.250
MAT-POS-35d3f55a-1
0.250
MAR-TRE-74c6519b-12
0.248
MAR-TRE-04c86cea-19
0.248
MAR-TRE-f6f5f473-87
0.243
MAR-TRE-7f7bb9f0-63
0.243
MAR-TRE-9c797165-33
0.241
MAR-TRE-f6f5f473-56
0.241
MAR-TRE-4b834d9a-70
0.238
MAR-TRE-9c797165-79
0.237
KEI-TRE-d5e2018a-49
0.235
DRA-CSI-47e38074-15
0.234
MAR-UNI-cd28c081-1
0.234
MAR-TRE-f6f5f473-39
0.232
MAR-TRE-4b834d9a-78
0.231
MAK-UNK-7a704a63-22
0.231
MAR-LAB-ff9967db-15
0.229
NAU-LAT-8502cac5-9
0.229
MAR-TRE-d0525fbf-30
0.229
MAR-TRE-4b834d9a-68
0.228
MAR-TRE-04c86cea-78
0.228
BAR-COM-4e090d3a-5
0.228
MAR-TRE-67513f76-20
0.227
MAR-TRE-d0525fbf-43
0.227
RUT-UNI-630c5802-8
0.227
BRU-UNI-248b30bc-40
0.226
MAR-TRE-67513f76-48
0.226