Molecular Properties | |
SMILES: | O=C(O)CN1C(=O)CN(C(=O)Nc2cccnc2)c2ccccc21 |
MW: | 326.1 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 102.84 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8355269754 |
MolPort: | MolPort-015-139-910 |
MAR-TRE-2fd8122f-91
0.435
MAR-TRE-4b834d9a-45
0.435
KEI-TRE-d5e2018a-37
0.435
MAR-TRE-2fd8122f-54
0.412
MAR-TRE-2fd8122f-43
0.402
CHR-SOS-70e4c98a-6
0.388
ALE-HEI-f28a35b5-16
0.387
JOH-IMS-62aeb97d-4
0.387
MAR-TRE-2fd8122f-49
0.386
CHR-SOS-70e4c98a-8
0.378
JOH-IMS-62aeb97d-3
0.377
CHR-SOS-70e4c98a-3
0.369
SAD-SAT-2fd372d1-7
0.367
AAR-POS-d2a4d1df-11
0.366
MAR-TRE-7f7bb9f0-84
0.366
MAR-TRE-2fd8122f-9
0.366
KEI-TRE-d5e2018a-6
0.366
CHR-SOS-70e4c98a-1
0.360
RED-RED-10c9212c-5
0.358
EMI-TUK-a58865cc-5
0.357
MAR-TRE-2fd8122f-90
0.356
MED-UNK-e6e8ef8a-6
0.354
MAR-TRE-67513f76-81
0.353
ALE-HEI-f28a35b5-14
0.351
WIL-UNI-5578df48-2
0.351
MAR-TRE-67513f76-73
0.349
MAR-TRE-b77b7921-91
0.349
EMI-TUK-a58865cc-7
0.349
SAN-PRS-52b81272-2
0.347
SAN-PRS-52b81272-3
0.347
EMI-TUK-a58865cc-6
0.345
BAR-COM-5694a99d-1
0.344
JOH-IMS-62aeb97d-5
0.343
MAK-UNK-ca11b4f7-1
0.343
CHR-SOS-59746812-1
0.341
EMI-TUK-a58865cc-4
0.341
DAR-DIA-842b4336-2
0.338
MAR-TRE-2fd8122f-27
0.338
DAR-DIA-842b4336-5
0.338
ANT-DIA-3c79be55-5
0.337
CHR-SOS-59746812-5
0.337
TAM-UNI-c140e31a-7
0.337
DAR-DIA-842b4336-4
0.333
CHR-SOS-f7373dd1-4
0.333
MAR-TRE-4b834d9a-31
0.333
MAR-TRE-2fd8122f-63
0.333
AUS-ARG-7cfdce8f-11
0.333
MAR-TRE-74c6519b-42
0.333
MAK-UNK-a7b37c5e-2
0.333
TAM-UNI-c140e31a-13
0.330
LON-WEI-b2874fec-25
0.330
MAR-TRE-f6f5f473-31
0.330
ASH-UNK-40b46b30-9
0.330
MAK-UNK-ca11b4f7-2
0.329
MAK-UNK-ca11b4f7-3
0.329
MAR-TRE-f6f5f473-46
0.326
MAR-TRE-3e4e6814-45
0.326
CHR-SOS-f7373dd1-1
0.326
MAR-TRE-9c797165-52
0.326
SAD-SAT-689b7d5a-9
0.325
SAD-SAT-cefd50cc-1
0.325
MAR-TRE-9c797165-80
0.325
ALE-HEI-f28a35b5-9
0.325
AAR-POS-d2a4d1df-13
0.325
FRA-FAC-9ed5a63a-1
0.325
MAR-TRE-2fd8122f-72
0.322
MAR-TRE-74c6519b-51
0.322
EMI-TUK-a58865cc-1
0.322
ASH-UNK-40b46b30-3
0.322
NAU-LAT-64f4b287-10
0.322
MAR-TRE-7f7bb9f0-89
0.322
ANT-DIA-3c79be55-4
0.321
MAR-TRE-2fd8122f-78
0.321
MED-UNK-e6e8ef8a-5
0.321
DAR-DIA-842b4336-13
0.321
DAR-DIA-842b4336-11
0.321
SAD-SAT-689b7d5a-2
0.320
MAR-TRE-3e4e6814-27
0.320
ALE-MCD-4ac17b19-1
0.319
MAR-TRE-9c797165-94
0.318
CHR-SOS-7098f804-13
0.318
LON-WEI-120e5cf5-11
0.318
WIL-UNI-5578df48-3
0.318
WIL-UNI-5578df48-15
0.318
MAR-TRE-74c6519b-47
0.318
MAR-TRE-3e4e6814-80
0.317
KEI-TRE-d5e2018a-46
0.317
DAR-DIA-842b4336-3
0.316
MAK-UNK-a7b37c5e-5
0.316
JOH-UNK-14e6adc5-2
0.316
ANN-UNI-26382800-3
0.316
KEI-TRE-d5e2018a-26
0.316
KEI-TRE-d5e2018a-67
0.316
ALE-HEI-f28a35b5-15
0.316
MAR-TRE-7f7bb9f0-72
0.316
MAR-TRE-04c86cea-46
0.315
WIL-UNI-5578df48-26
0.315
MAR-TRE-9c797165-8
0.315
MAR-TRE-04c86cea-86
0.314
SAD-SAT-689b7d5a-4
0.314