Molecular Properties | |
SMILES: | CC1Oc2ccccc2N(CC(=O)Nc2cccnc2)C1=O |
MW: | 297.11 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 71.53 |
cLogP: | 1.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z217608992 |
Enamine REAL: | Z217608992 |
Mcule: | MCULE-2731167515 |
Mcule Ultimate: | GPAJMHPWTLSXEZ-UHFFFAOYSA-N |
MolPort: | MolPort-007-430-728 |
KEI-TRE-d5e2018a-37
0.570
MAR-TRE-4b834d9a-45
0.570
MAR-TRE-2fd8122f-91
0.570
MAR-TRE-2fd8122f-54
0.470
MAR-TRE-2fd8122f-43
0.459
JOH-IMS-62aeb97d-5
0.433
MAR-TRE-f6f5f473-46
0.425
MAR-TRE-b77b7921-91
0.422
MAR-TRE-7f7bb9f0-84
0.418
MAR-TRE-2fd8122f-9
0.418
KEI-TRE-d5e2018a-6
0.418
MAR-TRE-b77b7921-52
0.409
MAR-TRE-67513f76-73
0.407
MAR-TRE-4b834d9a-31
0.405
MAR-TRE-67513f76-81
0.403
MED-UNK-e6e8ef8a-4
0.400
MAR-TRE-2fd8122f-63
0.398
MAK-UNK-ca11b4f7-1
0.391
KEI-TRE-d5e2018a-74
0.391
MAR-TRE-2fd8122f-68
0.391
MAR-TRE-67513f76-55
0.386
MAR-TRE-4b834d9a-49
0.386
MAR-TRE-3e4e6814-27
0.383
MAR-TRE-4b834d9a-96
0.382
KEI-TRE-d5e2018a-45
0.379
ALE-HEI-f28a35b5-14
0.378
CHR-SOS-70e4c98a-6
0.378
MAR-TRE-2fd8122f-78
0.378
NAU-LAT-64f4b287-10
0.376
MAR-TRE-9c797165-60
0.375
MAR-TRE-d0525fbf-64
0.375
MED-UNK-e6e8ef8a-3
0.375
MAR-TRE-2fd8122f-72
0.375
SAN-PRS-52b81272-2
0.373
MAR-TRE-04c86cea-40
0.371
MAR-TRE-c317dd82-59
0.371
MAR-TRE-9c797165-21
0.371
CHR-SOS-70e4c98a-8
0.369
KEI-TRE-d5e2018a-67
0.366
MAR-TRE-2fd8122f-30
0.366
BEN-DND-362d364a-11
0.366
MAR-TRE-7f7bb9f0-50
0.365
MAR-TRE-74c6519b-58
0.364
MED-UNK-e6e8ef8a-5
0.362
DAR-DIA-842b4336-11
0.362
DAR-DIA-842b4336-12
0.362
CHR-SOS-70e4c98a-3
0.360
AUS-ARG-7cfdce8f-11
0.359
DAR-DIA-842b4336-16
0.358
NIM-UNI-02269248-2
0.356
MAR-TRE-74c6519b-54
0.356
BEN-DND-362d364a-10
0.354
KEI-TRE-d5e2018a-85
0.354
MAR-TRE-04c86cea-97
0.353
MAR-TRE-7f7bb9f0-90
0.353
CHR-SOS-70e4c98a-1
0.352
KEI-TRE-d5e2018a-26
0.351
TAM-UNI-c140e31a-13
0.351
SAD-SAT-24589cd1-4
0.351
DUN-NEW-f8ce3686-8
0.351
ALE-HEI-f28a35b5-9
0.350
FRA-FAC-9ed5a63a-1
0.350
MAR-TRE-7f7bb9f0-28
0.350
MAK-UNK-a7b37c5e-1
0.350
MAK-UNK-c749d764-17
0.350
AAR-POS-d2a4d1df-13
0.350
MAR-TRE-3e4e6814-80
0.350
MAR-TRE-f6f5f473-78
0.349
MAR-TRE-3e4e6814-61
0.348
MAR-TRE-3e4e6814-65
0.348
MAK-UNK-a7b37c5e-4
0.346
DAR-DIA-842b4336-13
0.346
ALE-HEI-f28a35b5-5
0.346
MED-UNK-e6e8ef8a-6
0.346
KEI-TRE-d5e2018a-4
0.344
MAR-TRE-3e4e6814-66
0.344
TAM-UNI-c140e31a-7
0.344
TAM-UNI-c140e31a-12
0.344
MAR-TRE-04c86cea-5
0.343
NIM-UNI-bb610069-1
0.343
NIM-UNI-594fbbb6-1
0.343
WIL-UNI-5578df48-2
0.342
MAK-UNK-a7b37c5e-5
0.342
MED-UNK-e6e8ef8a-2
0.341
MAK-UNK-a7b37c5e-2
0.341
FRA-FAC-9ed5a63a-2
0.341
CHR-SOS-f7373dd1-4
0.341
MAK-UNK-c749d764-23
0.341
MAR-TRE-3e4e6814-67
0.341
KEI-TRE-d5e2018a-77
0.341
MAR-TRE-b77b7921-53
0.341
MAR-TRE-74c6519b-42
0.341
TAM-UNI-c140e31a-14
0.340
MAK-UNK-ca11b4f7-3
0.338
DAR-DIA-842b4336-10
0.338
MAR-TRE-7f7bb9f0-49
0.337
MAK-UNK-c749d764-27
0.337
MAR-TRE-7f7bb9f0-74
0.337
MAR-TRE-3e4e6814-50
0.337
MAR-TRE-4b834d9a-16
0.337