Molecular Properties | |
SMILES: | N#Cc1ccc(CNC(=O)N2CCOCC2)c(CC(=O)Nc2cccnc2)c1 |
MW: | 379.16 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 107.35 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-8
PET-SGC-276eba5a-1
0.685
WIL-LEE-1f71e281-1
0.558
SCO-VAN-260d9628-4
0.533
SAD-SAT-f25ee457-9
0.532
SAD-SAT-f25ee457-4
0.521
JAN-GHE-fd8d85a5-12
0.516
DAR-DIA-fb20be43-16
0.495
TAM-UNI-d1c3dd9f-1
0.495
MAK-UNK-ec98eaf6-25
0.449
PET-SGC-cb83a00c-1
0.432
ANN-UNI-26382800-5
0.427
AAR-POS-d2a4d1df-21
0.419
DAR-DIA-23aa0b97-17
0.411
TRY-UNI-9f475305-1
0.410
MAR-TRE-2fd8122f-35
0.400
JOR-UNI-61e7b1d5-3
0.400
DAR-DIA-842b4336-15
0.396
JOR-UNI-61e7b1d5-16
0.393
JOR-UNI-61e7b1d5-4
0.391
PET-SGC-0ecb2cfe-1
0.390
DAR-DIA-842b4336-14
0.389
MAR-TRE-2fd8122f-94
0.386
PAU-WEI-f734c343-2
0.383
MAK-UNK-a7b37c5e-2
0.382
ANT-DIA-b7f58f21-9
0.380
JOR-UNI-61e7b1d5-17
0.377
MAR-TRE-9c797165-14
0.374
DAR-DIA-842b4336-11
0.371
JOR-UNI-61e7b1d5-10
0.368
MAR-TRE-7f7bb9f0-82
0.366
KEI-TRE-d5e2018a-10
0.366
DAR-DIA-fb20be43-17
0.364
SAD-SAT-f25ee457-2
0.362
SAD-SAT-24589cd1-4
0.360
MAK-UNK-a7b37c5e-1
0.360
DAR-DIA-23aa0b97-16
0.360
MAK-UNK-c749d764-17
0.360
MAR-TRE-04c86cea-41
0.359
SAD-SAT-135344c3-1
0.356
PAT-GYR-359dbb24-1
0.356
JOR-UNI-61e7b1d5-11
0.355
DAR-DIA-03336633-10
0.355
MAR-TRE-67513f76-81
0.354
JOH-IMS-62aeb97d-4
0.352
MAK-UNK-a7b37c5e-5
0.352
JOH-UNK-14e6adc5-2
0.352
ALE-HEI-f28a35b5-16
0.352
ANN-UNI-26382800-3
0.352
DAR-DIA-842b4336-16
0.352
SAN-PRS-52b81272-2
0.349
JOH-UNI-abdb2f0c-2
0.349
PAT-GYR-359dbb24-2
0.348
MAK-UNK-c749d764-27
0.348
MAR-TRE-9c797165-52
0.344
MAK-UNK-c749d764-13
0.344
PAT-GYR-de8eec61-4
0.344
PAT-GYR-359dbb24-3
0.344
MAR-TRE-3e4e6814-34
0.343
KEI-TRE-d5e2018a-32
0.343
KEI-TRE-d5e2018a-22
0.343
WAR-XCH-6eb0722e-1
0.343
MAR-TRE-2fd8122f-46
0.343
STU-CHA-6cae54d3-1
0.343
KEI-TRE-d5e2018a-9
0.343
THO-SYG-cc9e9a11-3
0.343
MAK-UNK-a7b37c5e-4
0.341
EDG-MED-0da5ad92-2
0.341
ALE-HEI-f28a35b5-5
0.341
DAR-DIA-842b4336-13
0.341
DAR-DIA-842b4336-12
0.341
BEN-DND-61647d40-8
0.340
DAR-DIA-23aa0b97-4
0.340
PAT-GYR-359dbb24-4
0.340
MAR-TRE-67513f76-13
0.340
SAD-SAT-24589cd1-6
0.339
THO-SYG-cc9e9a11-7
0.339
ALE-HEI-f28a35b5-14
0.337
JOR-UNI-61e7b1d5-2
0.337
ANN-UNI-26382800-4
0.337
DAR-DIA-23aa0b97-5
0.337
WAR-XCH-eb7b662f-1
0.337
SAD-SAT-2fd372d1-7
0.337
KAL-WAB-eb347ebe-1
0.337
MAR-TRE-9c797165-94
0.337
MAR-TRE-2fd8122f-37
0.337
ERI-UCB-ce40166b-12
0.336
TAM-UNI-d1c3dd9f-21
0.333
MAR-TRE-2fd8122f-69
0.333
CHA-MCP-85291e1d-2
0.333
KEI-TRE-d5e2018a-53
0.333
KEI-TRE-d5e2018a-61
0.333
DAR-DIA-842b4336-10
0.333
MAR-TRE-7f7bb9f0-81
0.333
PAT-GYR-de8eec61-1
0.333
JOR-UNI-61e7b1d5-15
0.330
WAR-XCH-6eb0722e-3
0.330
KEI-TRE-d5e2018a-13
0.330
MAR-TRE-2fd8122f-39
0.330
MAR-TRE-2fd8122f-89
0.330
MAR-TRE-67513f76-87
0.330