Molecular Properties | |
SMILES: | O=C1CC(C(=O)Nc2cccnc2)NC(=O)N1 |
MW: | 234.08 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 100.19 |
cLogP: | -0.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-2fd8122f-27
0.576
MAR-TRE-2fd8122f-18
0.458
MAR-TRE-f6f5f473-84
0.444
MAR-TRE-2fd8122f-77
0.429
MAR-TRE-2fd8122f-38
0.418
MAR-TRE-9c797165-80
0.408
MAK-UNK-ca11b4f7-3
0.407
MAR-TRE-9c797165-46
0.400
MED-UNK-e6e8ef8a-3
0.400
MAR-TRE-74c6519b-51
0.397
LON-WEI-120e5cf5-11
0.397
MAR-TRE-67513f76-20
0.395
MAR-TRE-3e4e6814-62
0.395
AAR-POS-d2a4d1df-13
0.391
ALE-HEI-f28a35b5-9
0.391
FRA-FAC-9ed5a63a-1
0.391
TRY-UNI-bbd40bb4-3
0.390
MAR-TRE-67513f76-81
0.390
MAR-TRE-d0525fbf-90
0.387
MED-UNK-e6e8ef8a-7
0.386
MAK-UNK-ca11b4f7-2
0.383
MAR-TRE-2fd8122f-50
0.383
FRA-FAC-9ed5a63a-2
0.380
MED-UNK-e6e8ef8a-2
0.380
TRY-UNI-bbd40bb4-4
0.380
MAR-TRE-04c86cea-17
0.378
JOH-IMS-62aeb97d-5
0.377
MAK-UNK-ca11b4f7-1
0.377
ALE-HEI-f28a35b5-8
0.377
MAR-TRE-2fd8122f-44
0.375
MAR-TRE-7f7bb9f0-18
0.375
KEI-TRE-d5e2018a-15
0.375
MAR-TRE-2fd8122f-48
0.372
MAK-UNK-5d2caa6f-1
0.372
JOH-IMS-62aeb97d-1
0.371
JOH-IMS-62aeb97d-3
0.371
MAR-TRE-2fd8122f-28
0.370
MAR-TRE-f6f5f473-78
0.370
MAR-TRE-7f7bb9f0-27
0.368
MAR-TRE-2fd8122f-92
0.368
KEI-TRE-d5e2018a-30
0.368
FRA-FAC-9ed5a63a-3
0.366
MED-UNK-e6e8ef8a-5
0.366
MED-UNK-e6e8ef8a-1
0.366
MAR-TRE-2fd8122f-7
0.366
MAR-TRE-2fd8122f-42
0.366
JAG-UCB-a3ef7265-7
0.364
ALE-HEI-f28a35b5-14
0.364
MAR-TRE-2fd8122f-13
0.362
MAR-TRE-74c6519b-17
0.362
JOH-IMS-62aeb97d-4
0.362
JAN-GHE-4287bd1a-9
0.361
MAR-TRE-2fd8122f-8
0.360
MAR-TRE-2fd8122f-12
0.360
MAR-TRE-2fd8122f-87
0.360
AAR-POS-d2a4d1df-11
0.359
DAR-DIA-842b4336-1
0.358
MAR-TRE-2fd8122f-19
0.357
MAR-TRE-2fd8122f-36
0.357
MAR-TRE-04c86cea-35
0.357
KEI-TRE-d5e2018a-49
0.356
MAR-TRE-d0525fbf-54
0.356
MAR-TRE-04c86cea-46
0.354
WAR-XCH-eb7b662f-3
0.353
SAD-SAT-24589cd1-4
0.353
MED-UNK-e6e8ef8a-4
0.351
SAD-SAT-689b7d5a-9
0.351
MAK-UNK-c749d764-13
0.351
MAR-TRE-d0525fbf-14
0.349
MAR-TRE-2fd8122f-64
0.349
KEI-TRE-d5e2018a-97
0.349
KEI-TRE-d5e2018a-79
0.349
MAK-UNK-a7b37c5e-4
0.348
DAR-DIA-842b4336-2
0.348
MED-UNK-e6e8ef8a-6
0.347
FRA-FAC-9ed5a63a-4
0.347
MAK-UNK-d1e89583-3
0.347
NAU-LAT-64f4b287-10
0.346
ANT-DIA-3c79be55-5
0.346
MAR-TRE-74c6519b-91
0.346
MAR-TRE-3e4e6814-49
0.346
MAR-TRE-2fd8122f-83
0.345
KEI-TRE-d5e2018a-94
0.345
WIL-UNI-5578df48-2
0.343
ALE-HEI-f28a35b5-15
0.343
WAR-XCH-eb7b662f-7
0.343
JOR-UNI-2fc98d0b-7
0.343
DAR-DIA-842b4336-4
0.343
DAR-DIA-842b4336-3
0.343
WAR-XCH-eb7b662f-6
0.343
DAR-DIA-23aa0b97-14
0.343
JAN-GHE-83b26c96-19
0.343
ANN-UNI-26382800-3
0.343
JOH-UNK-14e6adc5-2
0.343
MAK-UNK-a7b37c5e-5
0.343
ALE-HEI-f28a35b5-16
0.343
WAR-XCH-eb7b662f-1
0.342
ANN-UNI-26382800-4
0.342
JOR-UNI-61e7b1d5-2
0.342
CHR-SOS-7098f804-11
0.342