Molecular Properties | |
SMILES: | O=C(Cc1cccc(C2CC2)c1O)Nc1cccnc1 |
MW: | 268.12 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.22 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-c749d764-17
0.613
MAK-UNK-c749d764-27
0.585
MAK-UNK-c749d764-14
0.543
MAK-UNK-c749d764-23
0.528
MAK-UNK-a7b37c5e-1
0.515
MAK-UNK-a7b37c5e-2
0.500
MAK-UNK-a7b37c5e-4
0.492
MAK-UNK-a7b37c5e-5
0.485
SAN-PRS-52b81272-2
0.484
MAR-TRE-67513f76-81
0.483
SAD-SAT-24589cd1-4
0.477
DAR-DIA-842b4336-11
0.464
EDG-MED-0da5ad92-2
0.464
DAR-DIA-842b4336-10
0.456
KAL-WAB-eb347ebe-1
0.452
AAR-POS-d2a4d1df-13
0.449
FRA-FAC-9ed5a63a-1
0.449
DAR-DIA-23aa0b97-16
0.449
ALE-HEI-f28a35b5-9
0.449
JOH-IMS-62aeb97d-5
0.443
MAK-UNK-ca11b4f7-1
0.443
MED-UNK-e6e8ef8a-3
0.437
MED-UNK-e6e8ef8a-2
0.437
FRA-FAC-9ed5a63a-2
0.437
ANN-UNI-26382800-5
0.432
MAR-TRE-74c6519b-54
0.429
CHA-MCP-85291e1d-2
0.427
DAR-DIA-842b4336-14
0.425
MED-UNK-e6e8ef8a-4
0.425
ALE-HEI-f28a35b5-14
0.424
DAR-DIA-842b4336-12
0.423
MED-UNK-e6e8ef8a-5
0.423
DAR-DIA-842b4336-13
0.423
ALE-HEI-f28a35b5-5
0.423
CHA-MCP-85291e1d-5
0.421
MAR-TRE-d0525fbf-91
0.419
DAR-DIA-842b4336-16
0.417
MAR-TRE-74c6519b-55
0.416
CHR-SOS-59746812-2
0.413
DAR-DIA-23aa0b97-17
0.413
MAR-TRE-74c6519b-47
0.413
CHR-SOS-f7373dd1-5
0.411
MAR-TRE-9c797165-94
0.410
CHR-SOS-59746812-6
0.408
CHA-MCP-85291e1d-1
0.405
MED-UNK-e6e8ef8a-6
0.403
WIL-UNI-5578df48-17
0.400
CHR-SOS-f7373dd1-2
0.400
MAK-UNK-b2c98f02-9
0.398
MAR-TRE-2fd8122f-39
0.398
MAR-TRE-74c6519b-91
0.397
MAR-TRE-2fd8122f-99
0.397
NAU-LAT-64f4b287-10
0.397
MAR-TRE-67513f76-13
0.397
CHR-SOS-f7373dd1-4
0.395
DAR-DIA-842b4336-15
0.395
WIL-UNI-5578df48-15
0.395
SAD-SAT-cefd50cc-6
0.393
MAR-TRE-3e4e6814-62
0.392
MAR-TRE-b77b7921-91
0.392
MAR-TRE-7f7bb9f0-74
0.392
MAD-FNM-74857450-1
0.391
MAR-TRE-3e4e6814-50
0.390
JOH-IMS-62aeb97d-3
0.389
WIL-UNI-5578df48-26
0.388
SAD-SAT-cefd50cc-1
0.387
MAR-TRE-7f7bb9f0-56
0.387
MAK-UNK-d1e89583-1
0.386
CHR-SOS-f7373dd1-1
0.385
CHR-SOS-59746812-1
0.385
MAR-TRE-2fd8122f-57
0.382
CHR-SOS-70e4c98a-6
0.382
MAR-TRE-f6f5f473-95
0.381
AUS-ARG-7cfdce8f-11
0.380
CHR-SOS-59746812-5
0.380
AAR-POS-d2a4d1df-11
0.379
MAR-TRE-b77b7921-71
0.378
MAR-TRE-b77b7921-80
0.378
MAR-TRE-b77b7921-97
0.378
MAR-TRE-67513f76-73
0.377
MAR-TRE-7f7bb9f0-46
0.377
MAR-TRE-3e4e6814-67
0.375
MAR-TRE-2fd8122f-37
0.375
MAR-TRE-7f7bb9f0-49
0.373
CHR-SOS-70e4c98a-8
0.372
MAR-TRE-7f7bb9f0-90
0.372
DUN-NEW-f8ce3686-9
0.371
MAR-TRE-b77b7921-74
0.370
MAR-TRE-9c797165-14
0.369
MAR-TRE-74c6519b-81
0.369
MAR-TRE-67513f76-93
0.368
MAR-TRE-2fd8122f-30
0.368
MAR-TRE-3e4e6814-79
0.368
MAR-TRE-04c86cea-41
0.368
MAR-TRE-67513f76-87
0.367
MAR-TRE-2fd8122f-66
0.367
MAR-TRE-2fd8122f-27
0.366
MAR-TRE-7f7bb9f0-97
0.366
MED-UNK-e6e8ef8a-7
0.365
MED-UNK-e6e8ef8a-1
0.365