Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)c1cc(Cl)cc(-c2ccccc2)c1O |
MW: | 324.767 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 62.22 |
cLogP: | 4.3599 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHR-SOS-7098f804-14
0.618
CHR-SOS-7098f804-11
0.507
CHR-SOS-7098f804-16
0.474
CHR-SOS-7098f804-15
0.450
CHR-SOS-7098f804-18
0.430
CHR-SOS-7098f804-12
0.423
WAR-XCH-eb7b662f-3
0.400
MAK-UNK-d1e89583-2
0.397
WAR-XCH-eb7b662f-4
0.392
AAR-POS-d2a4d1df-11
0.388
SAN-PRS-52b81272-2
0.386
KEI-TRE-d5e2018a-44
0.383
MAR-TRE-7f7bb9f0-74
0.382
MAR-TRE-2fd8122f-85
0.379
DAR-DIA-23aa0b97-16
0.378
DAR-DIA-23aa0b97-15
0.375
MAK-UNK-a7b37c5e-4
0.375
MAR-TRE-2fd8122f-52
0.375
EDG-MED-0da5ad92-2
0.373
AGN-NEW-891393a6-2
0.372
WAR-XCH-eb7b662f-2
0.372
WIL-UNI-5578df48-2
0.371
MAR-TRE-67513f76-32
0.370
KEI-TRE-d5e2018a-99
0.370
AUS-ARG-7cfdce8f-11
0.370
DAR-DIA-23aa0b97-14
0.370
JAN-GHE-83b26c96-19
0.370
JOR-UNI-2fc98d0b-7
0.370
WAR-XCH-eb7b662f-7
0.370
CHR-SOS-7098f804-17
0.370
WAR-XCH-eb7b662f-5
0.368
SAN-PRS-52b81272-3
0.366
MAK-UNK-d1e89583-4
0.365
MAK-UNK-d1e89583-7
0.365
MAK-UNK-ca11b4f7-1
0.364
MAR-TRE-2fd8122f-70
0.363
ADA-UNI-f8e79267-5
0.362
MAK-UNK-a7b37c5e-1
0.360
KEI-TRE-d5e2018a-90
0.360
MAR-TRE-2fd8122f-21
0.356
MAR-TRE-2fd8122f-27
0.356
MAR-TRE-04c86cea-53
0.355
CHR-SOS-70e4c98a-6
0.354
MAR-TRE-67513f76-81
0.354
KEI-TRE-d5e2018a-28
0.353
MAR-TRE-f6f5f473-29
0.353
ALP-POS-ddb41b15-5
0.352
MAR-TRE-2fd8122f-5
0.352
MAK-UNK-a7b37c5e-2
0.351
MAR-TRE-74c6519b-47
0.350
MAK-UNK-d1e89583-9
0.350
CHR-SOS-f7373dd1-4
0.350
ADA-UNI-f8e79267-11
0.349
MAK-UNK-ca11b4f7-2
0.348
MAK-UNK-ca11b4f7-3
0.348
ISA-SCH-8e98219b-4
0.347
WIL-UNI-5578df48-4
0.346
MAK-UNK-d1e89583-8
0.346
AGN-NEW-891393a6-1
0.346
CHR-SOS-70e4c98a-8
0.346
KEI-TRE-d5e2018a-61
0.344
ERI-UCB-ce40166b-23
0.344
MAR-TRE-d0525fbf-77
0.344
MAR-TRE-2fd8122f-25
0.343
JOH-IMS-62aeb97d-5
0.343
CHR-SOS-7098f804-7
0.342
MAK-UNK-c749d764-17
0.342
ADA-UNI-f8e79267-6
0.341
CHR-SOS-f7373dd1-1
0.341
ADA-UNI-f8e79267-2
0.341
MAR-TRE-2fd8122f-7
0.341
KEI-TRE-d5e2018a-9
0.341
KEI-TRE-d5e2018a-13
0.341
CHR-SOS-7098f804-19
0.341
MAR-TRE-2fd8122f-73
0.341
MAR-TRE-2fd8122f-84
0.341
DAR-DIA-842b4336-13
0.338
CHR-SOS-363cfb78-1
0.338
ALE-HEI-f28a35b5-5
0.338
EMI-TUK-a58865cc-3
0.337
IAN-BAS-df1706d7-1
0.337
KEI-TRE-d5e2018a-81
0.337
ASH-UNK-40b46b30-3
0.337
CHR-SOS-70e4c98a-3
0.337
KEI-TRE-d5e2018a-10
0.337
WIL-UNI-1faa9b10-8
0.333
SWA-SYN-59528602-3
0.333
JAN-GHE-4287bd1a-9
0.333
DAR-DIA-842b4336-4
0.333
ALE-HEI-f28a35b5-14
0.333
KEI-TRE-d5e2018a-19
0.333
MAK-UNK-a7b37c5e-5
0.333
MAR-TRE-2fd8122f-77
0.333
MAR-TRE-4b834d9a-79
0.333
ALE-HEI-f28a35b5-16
0.333
KEI-TRE-d5e2018a-98
0.330
CHR-SOS-7098f804-22
0.330
ADA-UNI-f8e79267-8
0.330
CHR-SOS-70e4c98a-1
0.329
SAD-SAT-689b7d5a-4
0.329