Molecular Properties | |
SMILES: | N#Cc1ncc(N2CCCOCC2)cc1C(=O)Nc1cccnc1 |
MW: | 323.356 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.14 |
cLogP: | 1.82728 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOH-UNI-522b0723-10
0.642
JOH-UNI-abdb2f0c-1
0.588
JOH-UNI-522b0723-11
0.489
JOH-UNI-9dc98897-6
0.481
JOH-UNI-9dc98897-4
0.476
JOH-UNI-9dc98897-1
0.476
JOH-UNI-522b0723-9
0.468
JOH-UNI-9dc98897-2
0.453
JOH-UNI-abdb2f0c-4
0.449
JOH-UNI-522b0723-8
0.448
JOH-UNI-522b0723-12
0.433
KEI-TRE-d5e2018a-13
0.423
KEI-TRE-d5e2018a-9
0.423
KEI-TRE-d5e2018a-10
0.421
ASH-UNK-40b46b30-15
0.417
KEI-TRE-d5e2018a-61
0.412
KEI-TRE-d5e2018a-53
0.410
MAR-TRE-2fd8122f-55
0.402
JOH-UNI-522b0723-13
0.400
JOH-UNI-522b0723-7
0.396
KEI-TRE-d5e2018a-22
0.396
AAR-POS-d2a4d1df-19
0.393
KEI-TRE-d5e2018a-52
0.392
MAR-TRE-3e4e6814-92
0.384
MAR-TRE-3e4e6814-34
0.383
KEI-TRE-d5e2018a-32
0.383
MAR-TRE-2fd8122f-89
0.381
KEI-TRE-d5e2018a-36
0.381
JOR-UNI-61e7b1d5-10
0.378
MAR-TRE-2fd8122f-15
0.378
MAR-TRE-2fd8122f-31
0.378
JOR-UNI-61e7b1d5-11
0.376
MAR-TRE-67513f76-51
0.374
MAR-TRE-2fd8122f-7
0.367
JOH-UNI-abdb2f0c-3
0.367
JOR-UNI-2fc98d0b-9
0.355
PET-SGC-6016d8e6-1
0.352
JOR-UNI-61e7b1d5-4
0.351
MAR-TRE-2fd8122f-86
0.351
SAD-SAT-f25ee457-3
0.349
CHR-SOS-7098f804-11
0.348
DAR-DIA-842b4336-15
0.348
JOR-UNI-61e7b1d5-3
0.346
DAR-DIA-842b4336-9
0.344
CHR-SOS-7098f804-14
0.340
SAD-SAT-135344c3-1
0.340
JOR-UNI-61e7b1d5-16
0.339
JOR-UNI-61e7b1d5-17
0.339
CHR-SOS-363cfb78-1
0.337
MAR-TRE-4b834d9a-57
0.337
MAK-UNK-009ebe36-4
0.337
DAR-DIA-23aa0b97-17
0.333
ANN-UNI-26382800-5
0.333
MAR-TRE-2fd8122f-35
0.333
ANN-UNI-26382800-3
0.333
JAN-GHE-4287bd1a-9
0.333
JOH-UNK-14e6adc5-2
0.333
CHR-SOS-7098f804-15
0.333
MAR-TRE-d0525fbf-77
0.330
MAR-TRE-2fd8122f-94
0.330
ALE-HEI-f28a35b5-8
0.330
DAR-DIA-842b4336-6
0.326
KEI-TRE-d5e2018a-90
0.326
CHR-SOS-7098f804-16
0.323
MAR-TRE-4b834d9a-64
0.323
ANT-DIA-3c79be55-5
0.323
WAR-XCH-eb7b662f-2
0.323
DAR-DIA-842b4336-11
0.322
DAR-DIA-842b4336-5
0.322
MAR-TRE-2fd8122f-70
0.321
JOR-UNI-2fc98d0b-1
0.321
CHR-SOS-7098f804-13
0.320
ANN-UNI-26382800-4
0.319
WAR-XCH-eb7b662f-1
0.319
JOR-UNI-61e7b1d5-2
0.319
DAR-DIA-23aa0b97-5
0.319
JOR-UNI-61e7b1d5-13
0.319
JOH-IMS-62aeb97d-4
0.318
MAR-TRE-2fd8122f-88
0.317
JOR-UNI-2fc98d0b-6
0.315
CHR-SOS-7098f804-12
0.315
MAK-UNK-30aad1f1-8
0.314
MAR-TRE-2fd8122f-21
0.314
DAR-DIA-842b4336-14
0.312
SAD-SAT-135344c3-8
0.311
MAR-TRE-2fd8122f-8
0.311
JOH-IMS-62aeb97d-3
0.311
MAR-TRE-2fd8122f-96
0.311
MAR-TRE-7f7bb9f0-82
0.311
NAU-LAT-445f63e5-6
0.310
JOR-UNI-61e7b1d5-1
0.310
MAR-TRE-b77b7921-85
0.310
MAR-TRE-4b834d9a-92
0.308
EDG-MED-0da5ad92-2
0.308
MAR-TRE-2fd8122f-36
0.308
MAR-TRE-2fd8122f-85
0.308
KEI-TRE-d5e2018a-44
0.306
JOH-UNI-9dc98897-7
0.305
MAR-TRE-2fd8122f-52
0.305
JOR-UNI-61e7b1d5-15
0.304