Molecular Properties | |
SMILES: | C[C@H]1CCC[C@H](C(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)C1 |
MW: | 341.19 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.91 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-59
0.523
MAR-TRE-2fd8122f-78
0.452
MAR-TRE-b77b7921-97
0.429
MAR-TRE-2fd8122f-30
0.402
MED-UNK-e6e8ef8a-3
0.400
DAR-DIA-842b4336-11
0.388
MAR-TRE-74c6519b-91
0.385
NAU-LAT-64f4b287-10
0.385
MAR-TRE-67513f76-73
0.382
JOH-IMS-62aeb97d-5
0.382
MAR-TRE-4b834d9a-31
0.380
BEN-DND-362d364a-10
0.376
MED-UNK-e6e8ef8a-4
0.375
BEN-DND-362d364a-11
0.374
MAR-TRE-2fd8122f-49
0.371
ALE-HEI-f28a35b5-14
0.370
MAR-TRE-b77b7921-71
0.368
KEI-TRE-d5e2018a-74
0.368
MAR-TRE-b77b7921-91
0.366
NIM-UNI-02269248-2
0.364
MAR-TRE-74c6519b-81
0.361
ALE-HEI-f28a35b5-9
0.360
AAR-POS-d2a4d1df-13
0.360
FRA-FAC-9ed5a63a-1
0.360
MAR-TRE-04c86cea-31
0.360
DUN-NEW-f8ce3686-8
0.359
WIL-UNI-5578df48-17
0.358
MAR-TRE-2fd8122f-27
0.357
KEI-TRE-d5e2018a-37
0.357
MAR-TRE-2fd8122f-91
0.357
MAR-TRE-4b834d9a-45
0.357
DAR-DIA-842b4336-2
0.357
MED-UNK-e6e8ef8a-5
0.356
MAR-TRE-67513f76-81
0.355
MAR-TRE-b77b7921-80
0.354
MAR-TRE-9c797165-60
0.354
MAR-TRE-d0525fbf-64
0.354
MAR-TRE-7f7bb9f0-15
0.353
MED-UNK-e6e8ef8a-2
0.352
FRA-FAC-9ed5a63a-2
0.352
LON-WEI-120e5cf5-11
0.352
MAR-TRE-3e4e6814-62
0.351
MAR-TRE-4b834d9a-96
0.347
MAR-TRE-4b834d9a-63
0.347
MAR-TRE-7f7bb9f0-12
0.347
MAK-UNK-ca11b4f7-1
0.346
MAR-TRE-9c797165-52
0.344
MAR-TRE-b77b7921-52
0.343
MAR-TRE-2fd8122f-43
0.343
MAR-TRE-9c797165-38
0.343
MAR-TRE-d0525fbf-45
0.342
MED-UNK-e6e8ef8a-6
0.341
ALE-HEI-f28a35b5-5
0.341
MAR-TRE-3e4e6814-49
0.340
MAR-TRE-2fd8122f-13
0.340
MAR-TRE-7f7bb9f0-8
0.340
MAR-TRE-2fd8122f-12
0.340
NIM-UNI-594fbbb6-1
0.339
NIM-UNI-bb610069-1
0.339
MAR-TRE-3e4e6814-67
0.337
MAR-TRE-67513f76-20
0.337
MAR-TRE-9c797165-21
0.337
MAR-TRE-67513f76-92
0.337
MAR-TRE-2fd8122f-54
0.337
MAR-TRE-f6f5f473-23
0.337
MAR-TRE-7f7bb9f0-76
0.337
MAR-TRE-d0525fbf-54
0.336
ALE-HEI-f28a35b5-8
0.333
MAR-TRE-04c86cea-46
0.333
MAR-TRE-04c86cea-95
0.333
MAR-TRE-e82e6c98-80
0.333
KEI-TRE-d5e2018a-67
0.333
MAR-TRE-2fd8122f-62
0.333
MAR-TRE-9c797165-57
0.333
MAR-TRE-b77b7921-66
0.330
MAR-TRE-7f7bb9f0-97
0.330
KEI-TRE-d5e2018a-45
0.330
MAR-TRE-d0525fbf-90
0.330
MAK-UNK-c749d764-13
0.330
MAR-TRE-b77b7921-40
0.327
MAR-TRE-04c86cea-17
0.327
MAR-TRE-9c797165-48
0.327
MAR-TRE-3e4e6814-59
0.327
MAR-TRE-2fd8122f-68
0.327
MAR-TRE-67513f76-13
0.326
MED-UNK-e6e8ef8a-1
0.326
MAR-TRE-b77b7921-83
0.325
TAM-UNI-c140e31a-14
0.324
MAR-TRE-3e4e6814-27
0.324
MAR-TRE-04c86cea-35
0.324
MAK-UNK-009ebe36-10
0.324
MAR-TRE-2fd8122f-19
0.324
MAR-TRE-67513f76-55
0.323
MAR-TRE-b77b7921-53
0.323
KEI-TRE-d5e2018a-77
0.323
MAR-TRE-74c6519b-54
0.323
CHR-SOS-f7373dd1-4
0.323
MAR-TRE-4b834d9a-97
0.320
TAM-UNI-c140e31a-13
0.320
KEI-TRE-d5e2018a-26
0.320