Molecular Properties | |
SMILES: | CCC(=O)Nc1cccnc1 |
MW: | 150.08 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 41.99 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-67513f76-81
0.692
MAK-UNK-ca11b4f7-1
0.659
ALE-HEI-f28a35b5-14
0.609
MAK-UNK-c749d764-17
0.569
SAN-PRS-52b81272-2
0.562
MAK-UNK-ca11b4f7-3
0.558
SAD-SAT-24589cd1-4
0.551
MAK-UNK-a7b37c5e-4
0.540
AUS-ARG-7cfdce8f-11
0.529
MAK-UNK-a7b37c5e-5
0.529
ALE-HEI-f28a35b5-5
0.528
MED-UNK-e6e8ef8a-5
0.528
DAR-DIA-842b4336-13
0.528
DAR-DIA-842b4336-12
0.528
MED-UNK-e6e8ef8a-6
0.528
DAR-DIA-842b4336-11
0.528
MED-UNK-e6e8ef8a-4
0.527
MAK-UNK-ca11b4f7-2
0.523
DAR-DIA-842b4336-10
0.519
MED-UNK-e6e8ef8a-3
0.519
DAR-DIA-842b4336-16
0.519
FRA-FAC-9ed5a63a-1
0.509
MAK-UNK-a7b37c5e-1
0.509
AAR-POS-d2a4d1df-13
0.509
ALE-HEI-f28a35b5-9
0.509
DAR-DIA-23aa0b97-16
0.509
MAK-UNK-c749d764-27
0.509
MAR-TRE-7f7bb9f0-49
0.509
CHR-SOS-f7373dd1-5
0.509
MAR-TRE-67513f76-73
0.509
EDG-MED-0da5ad92-2
0.500
MAR-TRE-67513f76-93
0.500
MAR-TRE-9c797165-52
0.492
MAK-UNK-c749d764-14
0.492
CHR-SOS-f7373dd1-2
0.491
MED-UNK-e6e8ef8a-2
0.491
MAK-UNK-a7b37c5e-2
0.491
FRA-FAC-9ed5a63a-2
0.491
CHR-SOS-f7373dd1-4
0.483
KAL-WAB-eb347ebe-1
0.483
MAR-TRE-7f7bb9f0-74
0.482
JOH-IMS-62aeb97d-2
0.481
MAK-UNK-d1e89583-1
0.481
ALE-HEI-f28a35b5-15
0.480
AAR-POS-d2a4d1df-11
0.479
MAR-TRE-9c797165-94
0.475
MAR-TRE-2fd8122f-37
0.475
MAR-TRE-3e4e6814-50
0.475
MAR-TRE-7f7bb9f0-90
0.475
MAR-TRE-7f7bb9f0-56
0.474
DAR-DIA-842b4336-14
0.474
CHR-SOS-f7373dd1-1
0.467
MAR-TRE-2fd8122f-57
0.466
MAR-TRE-2fd8122f-78
0.466
MAR-TRE-d0525fbf-91
0.466
CHR-SOS-70e4c98a-6
0.466
MAR-TRE-67513f76-13
0.459
MAR-TRE-74c6519b-91
0.459
DAR-DIA-23aa0b97-17
0.458
ANN-UNI-26382800-5
0.458
MAR-TRE-7f7bb9f0-46
0.458
CHR-SOS-59746812-2
0.458
DAR-DIA-842b4336-15
0.458
MAR-TRE-74c6519b-47
0.458
DAR-DIA-23aa0b97-15
0.453
MAR-TRE-2fd8122f-27
0.453
DAR-DIA-842b4336-2
0.453
MAK-UNK-c749d764-23
0.452
MAR-TRE-4b834d9a-31
0.452
WIL-UNI-5578df48-2
0.451
MAR-TRE-04c86cea-97
0.450
CHA-MCP-85291e1d-2
0.450
CHR-SOS-59746812-6
0.450
CHR-SOS-70e4c98a-8
0.450
MAR-TRE-2fd8122f-79
0.448
SAD-SAT-cefd50cc-6
0.448
MAR-TRE-2fd8122f-45
0.446
MAR-TRE-3e4e6814-28
0.446
ALE-HEI-f28a35b5-16
0.444
MAR-TRE-2fd8122f-98
0.444
DAR-DIA-842b4336-3
0.444
WAR-XCH-eb7b662f-6
0.444
CHA-MCP-85291e1d-1
0.444
ANN-UNI-26382800-3
0.444
JOH-UNK-14e6adc5-2
0.444
CHR-SOS-f7373dd1-6
0.444
DAR-DIA-842b4336-4
0.444
MAR-TRE-67513f76-87
0.443
CHA-MCP-85291e1d-5
0.443
CHR-SOS-59746812-1
0.443
MAK-UNK-c749d764-13
0.443
SAN-PRS-52b81272-3
0.442
DAR-DIA-842b4336-1
0.442
PET-SGC-1fc12be1-1
0.441
ANT-DIA-3c79be55-4
0.441
MAR-TRE-2fd8122f-2
0.438
KEI-TRE-d5e2018a-14
0.438
KEI-TRE-d5e2018a-45
0.438
TAM-UNI-c140e31a-10
0.438
MAK-UNK-d1e89583-4
0.436