Molecular Properties | |
SMILES: | O=c1[nH]c(Cc2cccc(Cl)c2)nc2cnccc12 |
MW: | 271.05 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 58.64 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-abfda500-2
0.667
JOH-UNI-61f30276-3
0.667
JOH-UNI-abfda500-1
0.657
JOH-UNI-61f30276-2
0.657
ALP-POS-95b75b4d-11
0.337
MAT-POS-bb423b95-1
0.329
EDG-MED-0da5ad92-1
0.329
JAN-GHE-83b26c96-15
0.329
SAD-SAT-7d5528d9-47
0.318
SAD-SAT-7d5528d9-40
0.311
ALP-POS-95b75b4d-6
0.309
SAD-SAT-7d5528d9-49
0.308
EDJ-MED-c8e7a002-16
0.307
TRY-UNI-1fd04853-5
0.307
JIN-POS-6dc588a4-16
0.307
EDG-MED-0da5ad92-6
0.305
TRY-UNI-714a760b-6
0.305
MIC-UNK-08cd9c58-1
0.303
MAT-POS-f7918075-3
0.303
ALP-POS-76eab5ce-2
0.299
MIC-UNK-5ce21166-1
0.299
SAD-SAT-7d5528d9-36
0.298
JAN-GHE-83b26c96-17
0.298
SAM-UNK-2684b532-13
0.296
ALP-POS-95b75b4d-8
0.296
DAR-DIA-56cf811e-6
0.295
SAD-SAT-7d5528d9-52
0.295
JAN-GHE-83b26c96-16
0.294
BAR-COM-ebf5acce-1
0.293
DAR-DIA-bd041b9b-20
0.293
MAT-POS-f7918075-5
0.292
DAR-DIA-076fb6ea-13
0.292
ALP-POS-f13221e1-4
0.291
JIN-POS-6dc588a4-3
0.291
SAM-UNK-2684b532-11
0.291
PET-UNK-e8c7a26f-2
0.291
DAR-DIA-076fb6ea-2
0.289
DAR-DIA-56cf811e-2
0.289
PET-UNK-eda34f30-1
0.289
SAD-SAT-7d5528d9-17
0.289
JOH-UNI-a38a7bdd-3
0.289
JAN-GHE-5a013bed-8
0.287
EDG-MED-0da5ad92-2
0.287
ALP-POS-95b75b4d-7
0.287
SAD-SAT-7d5528d9-53
0.287
MAR-TRE-4b834d9a-12
0.287
MIC-UNK-4c7b8ba7-1
0.286
NIC-BIO-3276ca7f-6
0.286
DAR-DIA-6a49afbe-1
0.284
BEN-DND-61647d40-15
0.284
PET-UNK-4dc48bbe-1
0.284
DAR-DIA-bd041b9b-5
0.283
DAR-DIA-bd041b9b-29
0.283
DAR-DIA-bd041b9b-17
0.283
JOH-UNI-abfda500-5
0.282
ANN-UNI-98d2bf15-3
0.282
JOH-UNI-abfda500-4
0.282
DAR-DIA-56cf811e-4
0.281
VLA-UCB-1dbca3b4-4
0.281
JIN-POS-6dc588a4-6
0.281
DAR-DIA-bd041b9b-4
0.280
DAR-DIA-bd041b9b-19
0.280
PET-UNK-7a31b064-3
0.280
SAD-SAT-7d5528d9-38
0.280
MAK-UNK-6ca90168-23
0.279
JAN-GHE-5a013bed-9
0.278
DAR-DIA-076fb6ea-4
0.278
EDJ-MED-6e43a462-6
0.278
PET-UNK-bbe8d7ff-1
0.278
EDJ-MED-e66f2cc5-1
0.278
PET-UNK-bbe8d7ff-2
0.278
EDG-MED-0da5ad92-12
0.277
DAR-DIA-076fb6ea-7
0.277
DAR-DIA-076fb6ea-6
0.277
SAM-UNK-2684b532-12
0.276
MIC-UNK-d935700b-1
0.276
MAT-POS-bb423b95-5
0.276
RUB-POS-1325a9ea-19
0.276
JIN-POS-6dc588a4-4
0.276
AAR-UNI-c25c2f1e-57
0.276
SAD-SAT-7d5528d9-15
0.275
JOH-UNI-a38a7bdd-4
0.275
VLA-UNK-0ffe3317-6
0.275
DAR-DIA-076fb6ea-16
0.275
PET-UNK-8df914d1-3
0.274
SAD-SAT-7d5528d9-13
0.274
JOH-UNI-a38a7bdd-9
0.274
SAD-SAT-7d5528d9-12
0.274
DAR-DIA-b80f1cd7-14
0.274
DAR-DIA-bd041b9b-27
0.274
DAR-DIA-bd041b9b-2
0.274
JIN-POS-6dc588a4-19
0.273
NAU-LAT-a5c7d7cb-10
0.273
EDJ-MED-c8e7a002-11
0.273
JOH-UNI-6fede743-3
0.273
MAT-POS-bb423b95-6
0.273
MAR-TRE-4b834d9a-22
0.272
MAT-POS-29385cc1-3
0.272
SAD-SAT-7d5528d9-18
0.272
MAT-POS-c20a539d-6
0.272