Molecular Properties | |
SMILES: | Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc(O)ccc12 |
MW: | 310.1 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.43 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3258529373 |
MolPort: | MolPort-005-911-722 |
cumarine
Filter14_thio_oxopyrylium_salt
MAR-TRE-b77b7921-39
0.642
MAR-TRE-04c86cea-64
0.440
DAR-DIA-842b4336-12
0.436
DAR-DIA-842b4336-16
0.430
MAR-TRE-f6f5f473-95
0.427
ALE-HEI-f28a35b5-5
0.418
DAR-DIA-23aa0b97-17
0.410
MAK-UNK-c749d764-27
0.407
MAR-TRE-67513f76-81
0.406
MAK-UNK-c749d764-17
0.405
DAR-DIA-842b4336-11
0.400
SAN-PRS-52b81272-2
0.395
JOH-IMS-62aeb97d-5
0.394
DAR-DIA-842b4336-15
0.393
ANN-UNI-26382800-5
0.393
DAR-DIA-842b4336-10
0.392
MAK-UNK-c749d764-23
0.391
SAD-SAT-24589cd1-4
0.390
DAR-DIA-23aa0b97-16
0.388
DAR-DIA-842b4336-14
0.386
MAK-UNK-a7b37c5e-4
0.385
MAK-UNK-c749d764-14
0.384
EDG-MED-0da5ad92-2
0.383
DAR-DIA-842b4336-13
0.383
MAK-UNK-a7b37c5e-5
0.380
MAR-TRE-74c6519b-55
0.379
MAR-TRE-67513f76-13
0.379
MAR-TRE-2fd8122f-46
0.379
MAK-UNK-a7b37c5e-2
0.378
MAK-UNK-ca11b4f7-1
0.375
MAR-TRE-3e4e6814-8
0.375
MAK-UNK-a7b37c5e-1
0.370
MAR-TRE-9c797165-14
0.370
MAK-UNK-c749d764-13
0.368
ALE-HEI-f28a35b5-14
0.364
DAR-DIA-842b4336-3
0.362
KAL-WAB-eb347ebe-1
0.360
MAR-TRE-2fd8122f-37
0.360
MAR-TRE-9c797165-94
0.360
SAD-SAT-f25ee457-3
0.359
MAR-TRE-7f7bb9f0-49
0.357
CHA-MCP-85291e1d-2
0.356
MAR-TRE-3e4e6814-50
0.356
CHA-MCP-85291e1d-1
0.356
MAR-TRE-3e4e6814-79
0.354
MAR-TRE-2fd8122f-26
0.354
MAR-TRE-67513f76-93
0.353
CHA-MCP-85291e1d-5
0.352
MAR-TRE-3e4e6814-61
0.351
MAR-TRE-2fd8122f-60
0.348
MAR-TRE-67513f76-22
0.347
MED-UNK-e6e8ef8a-3
0.345
MAR-TRE-2fd8122f-35
0.343
MAD-FNM-828af174-1
0.342
MAR-TRE-4b834d9a-96
0.340
MAR-TRE-2fd8122f-94
0.340
MAR-TRE-4b834d9a-97
0.340
MAR-TRE-2fd8122f-66
0.340
ALE-HEI-f28a35b5-9
0.337
AAR-POS-d2a4d1df-13
0.337
JOH-IMS-62aeb97d-3
0.337
FRA-FAC-9ed5a63a-1
0.337
MED-UNK-e6e8ef8a-4
0.337
MAR-TRE-67513f76-87
0.337
KEI-TRE-d5e2018a-45
0.337
MAR-TRE-2fd8122f-2
0.337
MAR-TRE-2fd8122f-39
0.337
MAR-TRE-2fd8122f-49
0.337
MAR-TRE-f6f5f473-46
0.337
MAR-TRE-2fd8122f-80
0.337
MAR-TRE-9c797165-95
0.337
MAR-TRE-2fd8122f-72
0.333
MAR-TRE-2fd8122f-99
0.333
MED-UNK-e6e8ef8a-6
0.333
JOR-UNI-61e7b1d5-1
0.333
DAR-DIA-23aa0b97-4
0.333
MAR-TRE-2fd8122f-57
0.333
MAR-TRE-7f7bb9f0-53
0.333
DAR-DIA-842b4336-7
0.333
SAD-SAT-cefd50cc-6
0.333
CHR-SOS-363cfb78-1
0.333
MED-UNK-e6e8ef8a-5
0.333
MAR-TRE-2fd8122f-100
0.330
DUN-NEW-f8ce3686-9
0.330
MAR-TRE-67513f76-55
0.330
MAR-TRE-3e4e6814-28
0.330
MAR-TRE-3e4e6814-67
0.330
MAR-TRE-74c6519b-54
0.330
MAR-TRE-4b834d9a-31
0.330
MAR-TRE-3e4e6814-62
0.330
MAR-TRE-b77b7921-91
0.330
WIL-UNI-5578df48-15
0.330
JOR-UNI-61e7b1d5-2
0.329
DAR-DIA-23aa0b97-5
0.329
ANN-UNI-26382800-4
0.329
WAR-XCH-eb7b662f-1
0.329
MED-UNK-e6e8ef8a-2
0.329
FRA-FAC-9ed5a63a-2
0.329
WAR-XCH-eb7b662f-6
0.329
ANN-UNI-26382800-3
0.329