Molecular Properties | |
SMILES: | COc1ccc(NC(=O)CCN2CCN(CC(=O)N(C)C)CC2)cn1 |
MW: | 349.21 |
Fraction sp3: | 0.59 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 78.01 |
cLogP: | 0.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1302514082 |
MolPort: | MolPort-021-742-876 |
MAR-TRE-67513f76-48
0.458
MAR-TRE-4b834d9a-78
0.430
LON-WEI-120e5cf5-1
0.386
LON-WEI-120e5cf5-17
0.386
AAR-POS-5507155c-2
0.386
AAR-POS-f650c5f2-4
0.386
MAR-TRE-d0525fbf-99
0.385
MAR-TRE-3e4e6814-9
0.382
MAR-TRE-b77b7921-15
0.376
MAR-TRE-b77b7921-18
0.360
MAK-UNK-90d0606b-10
0.360
MAR-TRE-3e4e6814-74
0.337
MAR-TRE-9c797165-2
0.333
MAR-TRE-67513f76-99
0.333
MAR-TRE-f6f5f473-4
0.333
MAR-TRE-67513f76-85
0.322
SIM-DEM-2843056b-3
0.312
SIM-DEM-2843056b-4
0.312
MAR-TRE-7f7bb9f0-45
0.310
MAR-TRE-04c86cea-84
0.310
MAR-TRE-74c6519b-46
0.307
MAR-TRE-3e4e6814-22
0.306
MAR-TRE-3e4e6814-87
0.306
MAR-TRE-67513f76-82
0.304
MAR-TRE-04c86cea-39
0.303
SIM-DEM-2843056b-6
0.303
MAR-TRE-f6f5f473-37
0.300
MAR-TRE-3e4e6814-39
0.299
MAR-TRE-f6f5f473-39
0.297
MAR-TRE-7f7bb9f0-14
0.297
MAR-TRE-d0525fbf-82
0.293
SIM-DEM-2843056b-7
0.293
MAR-TRE-a9136c7b-11
0.293
MAR-TRE-74c6519b-82
0.290
MAR-TRE-3e4e6814-82
0.289
MAR-TRE-c317dd82-23
0.286
MAR-TRE-74c6519b-69
0.284
MAR-TRE-74c6519b-67
0.277
SIM-DEM-2843056b-1
0.277
BEN-DND-6de5dfa0-17
0.276
MAR-TRE-9c797165-70
0.274
MAR-TRE-67513f76-14
0.273
MAR-TRE-04c86cea-34
0.273
MAR-TRE-f6f5f473-76
0.273
MAR-TRE-3e4e6814-16
0.270
MAR-TRE-d0525fbf-64
0.269
MAR-TRE-74c6519b-96
0.267
MAR-TRE-b77b7921-75
0.266
MAR-TRE-7f7bb9f0-30
0.265
MAR-TRE-9c797165-95
0.265
MAR-TRE-7f7bb9f0-20
0.264
MAR-TRE-7f7bb9f0-99
0.264
MAR-TRE-9c797165-10
0.264
MAK-UNK-af83ef51-31
0.263
MAR-TRE-6a44bbf2-12
0.262
PET-SGC-fedd1f79-1
0.262
LON-WEI-adc59df6-37
0.262
MAR-TRE-4b834d9a-89
0.261
MAR-TRE-67513f76-44
0.261
MAR-TRE-67513f76-73
0.261
MAR-TRE-04c86cea-19
0.261
MAR-TRE-3e4e6814-61
0.260
ALP-POS-88a7a97e-41
0.259
MAR-TRE-67513f76-90
0.258
MAR-TRE-b77b7921-63
0.258
MAR-TRE-7f7bb9f0-26
0.258
BEN-DND-6de5dfa0-22
0.256
MAR-TRE-6a44bbf2-47
0.256
BEN-DND-6de5dfa0-21
0.256
MAR-TRE-9c797165-3
0.255
MAR-TRE-f6f5f473-87
0.255
MAR-TRE-b77b7921-9
0.255
MAR-TRE-f6f5f473-98
0.255
MAR-TRE-74c6519b-42
0.253
MAR-TRE-7f7bb9f0-67
0.253
MAR-TRE-f6f5f473-73
0.253
MAR-TRE-f6f5f473-67
0.253
MAR-TRE-74c6519b-53
0.250
MAR-TRE-74c6519b-90
0.250
MAR-TRE-d0525fbf-30
0.250
KEI-TRE-d5e2018a-68
0.250
KEI-TRE-d5e2018a-92
0.250
MAR-TRE-e86a56b5-43
0.248
MAR-TRE-2fd8122f-100
0.248
MAR-TRE-7f7bb9f0-90
0.244
MAR-TRE-3e4e6814-50
0.244
BEN-DND-09b88bf4-5
0.244
BEN-DND-93268d01-9
0.244
KEI-TRE-d5e2018a-64
0.243
MAK-UNK-849bee6c-14
0.242
MAR-TRE-2fd8122f-72
0.242
BEN-DND-6de5dfa0-24
0.241
MAR-TRE-4b834d9a-58
0.241
MAR-TRE-2fd8122f-30
0.240
MAR-TRE-4b834d9a-97
0.240
MAR-TRE-04c86cea-38
0.240
MAR-TRE-04c86cea-44
0.240
BEN-DND-6de5dfa0-7
0.239
BEN-DND-09b88bf4-6
0.239
BEN-DND-6de5dfa0-18
0.239