Molecular Properties | |
SMILES: | O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)Nc1cccnc1 |
MW: | 340.12 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 84.0 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4470855401 |
MolPort: | MolPort-019-829-365 |
KEI-TRE-d5e2018a-21
0.418
KEI-TRE-d5e2018a-30
0.406
MAR-TRE-2fd8122f-92
0.406
MAR-TRE-7f7bb9f0-27
0.406
KEI-TRE-d5e2018a-37
0.378
MAR-TRE-4b834d9a-45
0.378
MAR-TRE-2fd8122f-91
0.378
MAR-TRE-7f7bb9f0-84
0.373
KEI-TRE-d5e2018a-6
0.373
MAR-TRE-2fd8122f-9
0.373
MAR-TRE-b77b7921-91
0.372
MAR-TRE-2fd8122f-39
0.364
NAU-LAT-64f4b287-10
0.362
MAR-TRE-2fd8122f-71
0.361
TAM-UNI-c140e31a-12
0.359
MAR-TRE-67513f76-73
0.359
TAM-UNI-c140e31a-6
0.356
TAM-UNI-c140e31a-14
0.356
MAR-TRE-2fd8122f-43
0.350
MAR-TRE-2fd8122f-49
0.350
DAR-DIA-842b4336-11
0.348
MAR-TRE-d0525fbf-64
0.347
MAR-TRE-67513f76-81
0.346
MAR-TRE-4b834d9a-31
0.344
MAR-TRE-2fd8122f-54
0.343
MAR-TRE-9c797165-21
0.343
KEI-TRE-d5e2018a-5
0.342
DAR-DIA-842b4336-10
0.341
MAR-TRE-4b834d9a-96
0.340
MAR-TRE-2fd8122f-30
0.340
KEI-TRE-d5e2018a-65
0.340
MAK-UNK-ca11b4f7-1
0.338
JOH-IMS-62aeb97d-5
0.338
MAR-TRE-b77b7921-52
0.337
DAR-DIA-842b4336-12
0.333
KEI-TRE-d5e2018a-74
0.333
MAR-TRE-2fd8122f-78
0.333
KEI-TRE-d5e2018a-85
0.330
DUN-NEW-f8ce3686-4
0.330
MAR-TRE-3e4e6814-27
0.330
MAR-TRE-67513f76-55
0.330
ALE-HEI-f28a35b5-14
0.329
KEI-TRE-d5e2018a-46
0.327
MAR-TRE-7f7bb9f0-50
0.327
KEI-TRE-d5e2018a-26
0.327
BEN-DND-362d364a-11
0.327
TAM-UNI-c140e31a-13
0.327
SAN-PRS-52b81272-2
0.326
MAR-TRE-fd17a9b8-44
0.324
TAM-UNI-c140e31a-1
0.324
MAR-TRE-3e4e6814-65
0.324
MAR-TRE-f6f5f473-46
0.324
KEI-TRE-d5e2018a-45
0.323
MAK-UNK-c749d764-13
0.323
MAR-TRE-9c797165-52
0.323
MAK-UNK-a7b37c5e-1
0.322
DAR-DIA-23aa0b97-16
0.322
SAD-SAT-24589cd1-4
0.322
TAM-UNI-c140e31a-7
0.321
MAR-TRE-3e4e6814-66
0.320
MAR-TRE-2fd8122f-68
0.320
MAR-TRE-9c797165-60
0.320
MAR-TRE-2fd8122f-72
0.320
MAR-TRE-67513f76-13
0.320
MED-UNK-e6e8ef8a-5
0.319
DAR-DIA-842b4336-13
0.319
EDG-MED-0da5ad92-2
0.319
MED-UNK-e6e8ef8a-6
0.319
KEI-TRE-d5e2018a-60
0.319
MAK-UNK-a7b37c5e-4
0.318
MAR-TRE-7f7bb9f0-76
0.318
MAR-TRE-67513f76-92
0.317
MAR-TRE-2fd8122f-37
0.316
MAR-TRE-9c797165-94
0.316
KEI-TRE-d5e2018a-1
0.316
MAK-UNK-a7b37c5e-2
0.315
MED-UNK-e6e8ef8a-2
0.315
DAR-DIA-842b4336-16
0.315
FRA-FAC-9ed5a63a-2
0.315
MAK-UNK-a7b37c5e-5
0.315
KEI-TRE-d5e2018a-67
0.314
MAR-TRE-4b834d9a-63
0.314
MAR-TRE-2fd8122f-17
0.314
MAR-TRE-9c797165-57
0.314
MAR-TRE-d0525fbf-45
0.313
MAK-UNK-c749d764-27
0.312
DAR-DIA-842b4336-14
0.309
KEI-TRE-d5e2018a-54
0.308
MAR-TRE-f6f5f473-25
0.308
ALE-HEI-f28a35b5-9
0.308
AAR-POS-d2a4d1df-13
0.308
MAK-UNK-c749d764-17
0.308
FRA-FAC-9ed5a63a-1
0.308
MAR-TRE-2fd8122f-35
0.306
MAR-TRE-2fd8122f-99
0.306
JAG-UCB-a3ef7265-7
0.306
JOR-UNI-2fc98d0b-1
0.306
BEN-DND-362d364a-10
0.306
MAR-TRE-2fd8122f-63
0.306
CHR-SOS-70e4c98a-6
0.305