Molecular Properties | |
SMILES: | CC(=O)NCCn1cc(CC(=O)Nc2cccnc2)c2ccccc21 |
MW: | 336.395 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 76.02 |
cLogP: | 2.3536 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DUN-NEW-f8ce3686-7
0.611
DUN-NEW-f8ce3686-8
0.575
KEI-TRE-d5e2018a-68
0.518
KEI-TRE-d5e2018a-74
0.477
CHA-MCP-85291e1d-1
0.420
DAR-DIA-842b4336-11
0.420
BAR-COM-0f94fc3d-57
0.413
MAK-UNK-a7b37c5e-1
0.407
MAK-UNK-c749d764-17
0.407
MAR-TRE-67513f76-13
0.398
MAR-TRE-74c6519b-55
0.398
MAK-UNK-a7b37c5e-2
0.398
SAN-PRS-52b81272-2
0.397
KAL-WAB-eb347ebe-1
0.395
MAR-TRE-9c797165-94
0.393
MAK-UNK-c749d764-27
0.393
MAR-TRE-67513f76-81
0.389
EDG-MED-0da5ad92-2
0.386
DAR-DIA-842b4336-16
0.381
JOH-IMS-62aeb97d-5
0.378
MAK-UNK-ca11b4f7-1
0.378
DAR-DIA-842b4336-10
0.378
MAR-TRE-4b834d9a-31
0.378
MAK-UNK-c749d764-23
0.378
MAR-TRE-2fd8122f-37
0.378
SAD-SAT-24589cd1-4
0.375
MAK-UNK-c749d764-13
0.371
MAK-UNK-c749d764-14
0.371
MAK-UNK-a7b37c5e-4
0.370
DAR-DIA-842b4336-13
0.369
ALE-HEI-f28a35b5-5
0.369
DAR-DIA-842b4336-12
0.369
MAR-TRE-3e4e6814-61
0.368
DUN-NEW-f8ce3686-6
0.368
MAR-TRE-2fd8122f-78
0.368
MAK-UNK-a7b37c5e-5
0.366
MAR-TRE-3e4e6814-50
0.360
MAR-TRE-4b834d9a-96
0.358
DAR-DIA-23aa0b97-16
0.357
MAR-TRE-74c6519b-58
0.355
DAR-DIA-842b4336-2
0.354
MAK-UNK-d1e89583-1
0.354
MAR-TRE-9c797165-95
0.353
MED-UNK-e6e8ef8a-6
0.353
MAR-TRE-3e4e6814-100
0.351
MAR-TRE-fd17a9b8-39
0.350
ALE-HEI-f28a35b5-14
0.350
MAR-TRE-4b834d9a-82
0.350
MAD-FNM-74857450-1
0.350
MAR-TRE-9c797165-21
0.347
BAR-COM-5694a99d-2
0.347
MAR-TRE-9c797165-14
0.344
MAR-TRE-9c797165-57
0.344
MAR-TRE-7f7bb9f0-12
0.343
MAR-TRE-4b834d9a-97
0.343
MAR-TRE-3e4e6814-79
0.343
DAR-DIA-842b4336-14
0.341
MAR-TRE-67513f76-93
0.341
CHA-MCP-85291e1d-5
0.341
MAR-TRE-2fd8122f-99
0.337
MAR-TRE-2fd8122f-68
0.337
MAR-TRE-04c86cea-71
0.337
MAR-TRE-67513f76-22
0.337
MAR-TRE-7f7bb9f0-15
0.337
MAR-TRE-9c797165-87
0.337
TAM-UNI-c140e31a-3
0.336
MAR-TRE-74c6519b-47
0.333
MAR-TRE-2fd8122f-100
0.333
MAR-TRE-67513f76-73
0.333
MAR-TRE-67513f76-55
0.333
MAR-TRE-67513f76-92
0.333
MAR-TRE-3e4e6814-28
0.333
MAR-TRE-3e4e6814-62
0.333
KEI-TRE-d5e2018a-60
0.333
MAR-TRE-74c6519b-68
0.333
ALE-HEI-f28a35b5-15
0.333
AUS-ARG-7cfdce8f-11
0.333
LON-WEI-5e7d1b3e-22
0.333
LON-WEI-4d77710c-22
0.333
DAR-DIA-23aa0b97-17
0.333
DAR-DIA-842b4336-15
0.333
ANN-UNI-26382800-5
0.333
MAD-FNM-828af174-1
0.333
MAR-TRE-04c86cea-41
0.330
KEI-TRE-d5e2018a-26
0.330
KEI-TRE-d5e2018a-92
0.330
CHA-MCP-85291e1d-2
0.330
MAR-TRE-7f7bb9f0-49
0.330
AAR-POS-d2a4d1df-11
0.329
MAK-UNK-ca11b4f7-3
0.329
MAR-TRE-2fd8122f-46
0.327
MAR-TRE-f6f5f473-46
0.327
MAR-TRE-f6f5f473-95
0.327
MAR-TRE-2fd8122f-47
0.327
MAR-TRE-9c797165-52
0.326
MAR-TRE-67513f76-87
0.326
MED-UNK-e6e8ef8a-4
0.326
MAR-TRE-7f7bb9f0-6
0.323
MAR-TRE-9c797165-60
0.323
PET-SGC-d0156db4-2
0.323