Molecular Properties | |
SMILES: | Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc(O)c(Cl)cc12 |
MW: | 344.06 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.43 |
cLogP: | 3.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9070260541 |
MolPort: | MolPort-000-843-459 |
cumarine
Filter14_thio_oxopyrylium_salt
MAR-TRE-04c86cea-41
0.642
MAR-TRE-04c86cea-64
0.441
MAK-UNK-a7b37c5e-2
0.415
DAR-DIA-842b4336-16
0.415
MAR-TRE-f6f5f473-95
0.413
MAK-UNK-a7b37c5e-1
0.407
DAR-DIA-23aa0b97-16
0.407
MAK-UNK-a7b37c5e-4
0.405
DAR-DIA-842b4336-13
0.402
EDG-MED-0da5ad92-2
0.402
ALE-HEI-f28a35b5-5
0.402
DAR-DIA-842b4336-12
0.402
MAK-UNK-c749d764-27
0.393
MAK-UNK-c749d764-17
0.390
MAR-TRE-67513f76-13
0.382
SAN-PRS-52b81272-2
0.380
JOH-IMS-62aeb97d-5
0.378
MAK-UNK-ca11b4f7-1
0.378
DAR-DIA-842b4336-10
0.378
MAK-UNK-c749d764-23
0.378
MAR-TRE-2fd8122f-37
0.378
SAD-SAT-24589cd1-4
0.375
MAR-TRE-9c797165-14
0.372
MAK-UNK-c749d764-14
0.371
CHA-MCP-85291e1d-5
0.371
MAR-TRE-67513f76-81
0.370
DAR-DIA-842b4336-11
0.369
MAR-TRE-2fd8122f-46
0.367
MAR-TRE-74c6519b-55
0.367
MAK-UNK-a7b37c5e-5
0.366
MAR-TRE-3e4e6814-8
0.364
ANN-UNI-26382800-5
0.364
DAR-DIA-842b4336-15
0.364
DAR-DIA-23aa0b97-17
0.364
MAR-TRE-9c797165-94
0.363
CHA-MCP-85291e1d-2
0.360
MAR-TRE-2fd8122f-26
0.356
DAR-DIA-842b4336-14
0.356
MAK-UNK-c749d764-13
0.356
MAR-TRE-67513f76-69
0.354
MAR-TRE-67513f76-22
0.351
ALE-HEI-f28a35b5-14
0.350
DAR-DIA-842b4336-3
0.349
DAR-DIA-842b4336-4
0.349
KAL-WAB-eb347ebe-1
0.348
WIL-UNI-1faa9b10-8
0.347
MAK-UNK-d1e89583-7
0.345
MAR-TRE-7f7bb9f0-49
0.345
MAR-TRE-3e4e6814-50
0.344
CHA-MCP-85291e1d-1
0.344
MAR-TRE-2fd8122f-2
0.340
MAR-TRE-3e4e6814-61
0.340
MAR-TRE-2fd8122f-23
0.340
MAR-TRE-9c797165-95
0.340
DAR-DIA-23aa0b97-15
0.337
DAR-DIA-842b4336-7
0.337
DAR-DIA-842b4336-8
0.337
MAR-TRE-2fd8122f-60
0.337
MAR-TRE-2fd8122f-99
0.337
KEI-TRE-d5e2018a-89
0.337
SAD-SAT-f25ee457-7
0.337
BEN-VAN-ed886787-14
0.336
SER-UNI-985a0e14-1
0.333
MED-UNK-e6e8ef8a-3
0.333
MAK-UNK-d1e89583-9
0.333
MAR-TRE-b77b7921-91
0.333
MAR-TRE-2fd8122f-35
0.333
MAR-TRE-4b834d9a-59
0.333
WAR-XCH-eb7b662f-5
0.333
BEN-VAN-ed886787-11
0.330
BEN-VAN-ed886787-15
0.330
ALB-THE-e2bfce8e-1
0.330
MAR-TRE-2fd8122f-66
0.330
MAR-TRE-04c86cea-96
0.330
MAR-TRE-9c797165-22
0.330
KEI-TRE-d5e2018a-26
0.330
MAR-TRE-3e4e6814-79
0.330
MAR-TRE-4b834d9a-96
0.330
MAR-TRE-7f7bb9f0-74
0.330
MAR-TRE-f6f5f473-71
0.327
MAR-TRE-2fd8122f-80
0.327
MAR-TRE-f6f5f473-46
0.327
MAR-TRE-2fd8122f-39
0.327
MAR-TRE-2fd8122f-49
0.327
MAR-TRE-9c797165-38
0.327
MAR-TRE-3e4e6814-65
0.327
MAR-TRE-67513f76-87
0.326
MED-UNK-e6e8ef8a-4
0.326
MAK-UNK-d1e89583-6
0.326
MAR-TRE-67513f76-93
0.326
ALE-HEI-f28a35b5-9
0.326
AAR-POS-d2a4d1df-13
0.326
FRA-FAC-9ed5a63a-1
0.326
WAR-XCH-eb7b662f-3
0.325
BEN-VAN-ed886787-13
0.324
BEN-VAN-ed886787-3
0.324
BEN-VAN-ed886787-1
0.324
BEN-VAN-c4cc60be-1
0.324
JOH-UNK-14e6adc5-5
0.324
KEI-TRE-d5e2018a-6
0.324