Molecular Properties | |
SMILES: | O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cccnc1 |
MW: | 324.12 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 100.19 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-47
0.716
MAR-TRE-fd17a9b8-19
0.541
MAR-TRE-74c6519b-54
0.476
MAR-TRE-74c6519b-42
0.420
MAR-TRE-74c6519b-58
0.414
MAR-TRE-67513f76-81
0.406
ALE-HEI-f28a35b5-14
0.400
JOH-IMS-62aeb97d-5
0.394
MAR-TRE-3e4e6814-59
0.393
MAR-TRE-3e4e6814-67
0.391
MAR-TRE-b77b7921-74
0.386
MAR-TRE-2fd8122f-72
0.378
MAK-UNK-ca11b4f7-1
0.375
MAR-TRE-f6f5f473-36
0.372
MAR-TRE-2fd8122f-20
0.371
MAR-TRE-d0525fbf-75
0.368
MAR-TRE-04c86cea-7
0.365
AUS-ARG-7cfdce8f-11
0.362
MAR-TRE-b77b7921-17
0.359
MAR-TRE-04c86cea-5
0.359
SAN-PRS-52b81272-2
0.359
MAR-TRE-3e4e6814-50
0.356
MAR-TRE-04c86cea-97
0.356
KEI-TRE-d5e2018a-92
0.355
SAD-SAT-24589cd1-4
0.354
MAR-TRE-04c86cea-31
0.354
FRA-FAC-9ed5a63a-1
0.354
MAK-UNK-a7b37c5e-1
0.354
AAR-POS-d2a4d1df-13
0.354
ALE-HEI-f28a35b5-9
0.354
MAR-TRE-67513f76-87
0.352
MAK-UNK-c749d764-13
0.352
MAR-TRE-2fd8122f-80
0.351
MAR-TRE-7f7bb9f0-38
0.351
MAR-TRE-2fd8122f-27
0.350
MAR-TRE-04c86cea-53
0.350
MED-UNK-e6e8ef8a-5
0.349
MAR-TRE-9c797165-12
0.348
MAR-TRE-b77b7921-80
0.348
MAR-TRE-9c797165-48
0.348
MAR-TRE-3e4e6814-100
0.347
MAK-UNK-a7b37c5e-5
0.346
MED-UNK-e6e8ef8a-2
0.345
FRA-FAC-9ed5a63a-2
0.345
MED-UNK-e6e8ef8a-3
0.345
CHR-SOS-f7373dd1-4
0.345
MAR-TRE-7f7bb9f0-46
0.345
MAR-TRE-4b834d9a-31
0.344
CHA-MCP-85291e1d-4
0.344
MAR-TRE-b77b7921-53
0.344
MAR-TRE-3e4e6814-28
0.344
KEI-TRE-d5e2018a-77
0.344
MAR-TRE-04c86cea-87
0.342
CHR-SOS-f7373dd1-5
0.341
MAR-TRE-7f7bb9f0-81
0.340
MAR-TRE-74c6519b-81
0.340
DAR-DIA-23aa0b97-16
0.337
MAK-UNK-c749d764-17
0.337
MED-UNK-e6e8ef8a-4
0.337
CHR-SOS-f7373dd1-1
0.337
HUB-UNK-9845d277-3
0.337
MAR-TRE-3e4e6814-61
0.337
CHR-SOS-54d5cf3e-1
0.337
MAR-TRE-2fd8122f-93
0.333
MAR-TRE-7f7bb9f0-15
0.333
DAR-DIA-842b4336-12
0.333
MAR-TRE-7f7bb9f0-82
0.333
MAR-TRE-4b834d9a-82
0.333
MAR-TRE-fd17a9b8-39
0.333
CHR-SOS-f7373dd1-2
0.333
MED-UNK-e6e8ef8a-6
0.333
MAK-UNK-a7b37c5e-4
0.333
EDG-MED-0da5ad92-2
0.333
NAU-LAT-64f4b287-10
0.333
CHR-SOS-70e4c98a-6
0.333
DAR-DIA-842b4336-13
0.333
MAR-TRE-74c6519b-17
0.333
MAR-TRE-3e4e6814-62
0.330
MAR-TRE-b77b7921-91
0.330
KAL-WAB-eb347ebe-1
0.330
MAK-UNK-a7b37c5e-2
0.329
MAR-TRE-f6f5f473-2
0.327
WAR-XCH-e55cba98-10
0.327
CHR-SOS-54d5cf3e-3
0.327
MAR-TRE-2fd8122f-62
0.327
MAR-TRE-4b834d9a-97
0.327
KEI-TRE-d5e2018a-68
0.326
CHR-SOS-70e4c98a-8
0.326
MAK-UNK-c749d764-27
0.326
DAR-DIA-842b4336-10
0.325
CHR-SOS-54d5cf3e-2
0.323
MAR-TRE-2fd8122f-49
0.323
MAR-TRE-04c86cea-93
0.323
MAR-TRE-9c797165-38
0.323
CHR-SOS-59746812-1
0.322
MAR-TRE-2fd8122f-81
0.322
MAR-TRE-7f7bb9f0-56
0.322
MAR-TRE-9c797165-87
0.320
MAR-TRE-2fd8122f-83
0.320
MAR-TRE-d0525fbf-33
0.320