Molecular Properties | |
SMILES: | COc1cccc(Cc2c[nH]c3ncccc23)c1 |
MW: | 238.11 |
Fraction sp3: | 0.13 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 37.91 |
cLogP: | 3.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JON-UNI-57097b3f-2
0.507
MAR-TRE-3159af1a-33
0.455
MAR-TRE-3159af1a-9
0.421
MAR-TRE-3159af1a-8
0.397
TRY-UNI-1fd04853-5
0.395
MAR-UCB-195bc32d-13
0.384
TRY-UNI-1fd04853-6
0.381
MAK-UNK-b1917cc8-5
0.367
NIC-BIO-25446079-4
0.366
DAR-DIA-23aa0b97-12
0.366
DAR-DIA-23aa0b97-1
0.365
NIC-BIO-3276ca7f-6
0.363
TRY-UNI-1fd04853-7
0.362
AAR-POS-d2a4d1df-20
0.362
NIC-BIO-ec630548-3
0.360
KAL-WAB-eb347ebe-1
0.359
NIC-BIO-3276ca7f-4
0.356
NIC-BIO-ec630548-2
0.352
MAR-TRE-3159af1a-37
0.352
TRY-UNI-1fd04853-8
0.349
RED-RED-10c9212c-49
0.349
MAR-TRE-3159af1a-76
0.349
IND-SYN-6c8299e8-5
0.346
IND-SYN-3aa4e743-1
0.346
TRY-UNI-1fd04853-11
0.345
NIC-BIO-25446079-3
0.345
NIC-BIO-25446079-1
0.341
NIC-BIO-25446079-2
0.341
TRY-UNI-1fd04853-9
0.341
NIC-BIO-29f4a211-2
0.341
ANT-DIA-3c79be55-3
0.341
MAR-TRE-3159af1a-91
0.338
SAD-SAT-f25ee457-5
0.337
NIC-BIO-29f4a211-1
0.337
SWA-SYN-d2e6fa14-4
0.337
SWA-SYN-6423ea73-4
0.337
NIC-BIO-f814dd3d-1
0.337
NIC-BIO-ec630548-4
0.333
EDJ-MED-e58735b6-1
0.333
TRY-UNI-1fd04853-12
0.333
MAR-TRE-3159af1a-41
0.333
NIC-BIO-3276ca7f-5
0.330
ANT-DIA-3c79be55-1
0.329
DAR-DIA-23aa0b97-2
0.326
TRY-UNI-1fd04853-10
0.326
NIC-BIO-3276ca7f-1
0.326
NIC-BIO-ec630548-1
0.326
MAR-TRE-3159af1a-21
0.323
MAR-TRE-4b834d9a-3
0.323
MAR-TRE-3159af1a-40
0.322
DOU-UNK-b5326f8f-15
0.321
ASH-UNK-40b46b30-18
0.320
NIC-BIO-96ee2ca4-1
0.316
MAR-TRE-3159af1a-66
0.315
MAR-TRE-3159af1a-84
0.315
ASH-UNK-40b46b30-14
0.311
RAL-THA-2d450e86-11
0.310
MAR-TRE-3159af1a-90
0.308
MAR-TRE-d0525fbf-22
0.307
ZAC-WAB-86e8bacf-1
0.306
ZAC-WAB-2baeb60f-1
0.305
ZAC-WAB-d55a3c2e-1
0.305
MAR-TRE-3159af1a-1
0.303
TAM-UNI-c140e31a-4
0.303
DOU-UNK-b5326f8f-17
0.303
MAR-TRE-d0525fbf-68
0.301
MAK-UNK-de8f6d00-2
0.301
NAU-LAT-81109c57-7
0.300
MAR-TRE-3e4e6814-72
0.299
SHR-UNK-cde60afe-1
0.298
SWA-SYN-d2e6fa14-9
0.298
SWA-SYN-6423ea73-10
0.298
TAM-UNI-c140e31a-17
0.297
TAM-UNI-c140e31a-18
0.297
TAM-UNI-c140e31a-5
0.296
SAD-SAT-f25ee457-10
0.296
MAR-TRE-3159af1a-70
0.296
MAR-TRE-4b834d9a-94
0.296
MAR-TRE-04c86cea-20
0.295
MAR-TRE-3159af1a-2
0.293
MAR-TRE-b77b7921-10
0.290
NIC-BIO-96ee2ca4-2
0.288
ALP-POS-95b75b4d-15
0.287
MAR-TRE-3159af1a-16
0.287
TAM-UNI-c140e31a-8
0.287
MAR-TRE-4b834d9a-17
0.286
MAK-UNK-10572812-12
0.284
MAR-TRE-04c86cea-58
0.284
MAR-TRE-3159af1a-24
0.284
MAR-TRE-74c6519b-19
0.284
NIC-BIO-5044b423-1
0.284
MAR-TRE-8190bb11-58
0.282
MAK-UNK-de8f6d00-8
0.282
GAB-FRA-261eb2a6-1
0.282
MAR-TRE-3e4e6814-8
0.282
MAK-UNK-de8f6d00-3
0.282
MAR-TRE-3159af1a-93
0.281
TAM-UNI-c140e31a-9
0.280
NIC-BIO-2722da07-1
0.280
MAR-TRE-4f781e27-37
0.279