Molecular Properties | |
SMILES: | N#Cc1cncc(NC(=O)Nc2c[nH]c3ncccc23)c1 |
MW: | 278.275 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 106.49 |
cLogP: | 2.47358 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-23aa0b97-11
0.667
TAM-UNI-c140e31a-19
0.643
DAR-DIA-23aa0b97-2
0.568
CHR-SOS-363cfb78-1
0.549
CHR-SOS-363cfb78-2
0.506
DAR-DIA-23aa0b97-9
0.446
BEN-DND-61647d40-10
0.432
BEN-DND-61647d40-9
0.429
DAR-DIA-23aa0b97-6
0.425
JAN-UNI-2e92c4b1-2
0.420
SID-ELM-1f105489-9
0.405
BEN-DND-61647d40-21
0.390
JOR-UNI-61e7b1d5-1
0.386
DAR-DIA-23aa0b97-1
0.374
BEN-DND-61647d40-5
0.367
BEN-DND-61647d40-6
0.363
TRY-UNI-1fd04853-12
0.359
WAR-XCH-eb7b662f-2
0.357
JOR-UNI-61e7b1d5-2
0.354
DAR-DIA-23aa0b97-5
0.354
ANN-UNI-26382800-4
0.354
WAR-XCH-eb7b662f-1
0.354
DAR-DIA-23aa0b97-7
0.353
SID-ELM-433ea7f3-3
0.352
JAN-UNI-2e92c4b1-1
0.349
MAK-UNK-de8f6d00-7
0.346
TRY-UNI-1fd04853-8
0.344
TRY-UNI-1fd04853-6
0.344
BEN-DND-61647d40-4
0.344
MAK-UNK-de8f6d00-5
0.343
BEN-DND-61647d40-3
0.340
MAK-UNK-de8f6d00-6
0.339
ANN-UNI-26382800-3
0.338
JOH-UNK-14e6adc5-2
0.338
KAL-WAB-eb347ebe-1
0.337
DAR-DIA-23aa0b97-17
0.337
TRY-UNI-1fd04853-10
0.337
MAK-UNK-30aad1f1-14
0.333
DUN-NEW-f8ce3686-7
0.333
BEN-DND-61647d40-1
0.330
TRY-UNI-714a760b-24
0.330
NIC-UNI-0cb6411b-1
0.327
ANT-DIA-3c79be55-1
0.326
MAK-UNK-30aad1f1-16
0.326
DAR-DIA-23aa0b97-8
0.326
ANT-DIA-3c79be55-3
0.323
MAK-UNK-30aad1f1-1
0.323
BEN-DND-61647d40-2
0.323
DUN-NEW-f8ce3686-6
0.321
TRY-UNI-714a760b-23
0.319
WAR-XCH-6eb0722e-1
0.316
MAK-UNK-de8f6d00-1
0.315
CHR-SOS-363cfb78-3
0.312
MAK-UNK-de8f6d00-2
0.312
PET-SGC-0f1d26ed-1
0.311
DAR-DIA-842b4336-5
0.310
DAR-DIA-23aa0b97-15
0.309
MAK-UNK-de8f6d00-3
0.306
MAK-UNK-30aad1f1-3
0.305
WAR-XCH-6eb0722e-3
0.304
SID-ELM-2583a2cd-20
0.303
DAR-DIA-842b4336-9
0.302
MAK-UNK-30aad1f1-8
0.302
MAK-UNK-10dfa458-24
0.302
CHR-SOS-363cfb78-5
0.302
MAK-UNK-30aad1f1-12
0.301
MAK-UNK-30aad1f1-15
0.299
SID-ELM-433ea7f3-4
0.298
TRY-UNI-1fd04853-2
0.298
TRY-UNI-1fd04853-11
0.298
MAK-UNK-d1e89583-2
0.298
MAK-UNK-30aad1f1-6
0.297
DAR-DIA-23aa0b97-18
0.296
MAK-UNK-30aad1f1-7
0.296
MAK-UNK-10dfa458-31
0.295
MAR-UCB-195bc32d-13
0.294
SAD-SAT-689b7d5a-8
0.293
NIC-BIO-25446079-1
0.293
MAR-TRE-3159af1a-40
0.293
PET-SGC-0f1d26ed-2
0.292
MAR-TRE-2fd8122f-69
0.289
ASH-UNK-40b46b30-7
0.288
CHR-SOS-363cfb78-4
0.288
JOR-UNI-61e7b1d5-8
0.288
DAR-DIA-03336633-4
0.288
MAR-TRE-3159af1a-33
0.287
DAR-DIA-23aa0b97-12
0.287
HUB-UNK-9845d277-3
0.287
MAK-UNK-30aad1f1-4
0.287
MAK-UNK-51bb34f9-2
0.286
MAK-UNK-30aad1f1-9
0.286
MAK-UNK-d1e89583-4
0.286
DAR-DIA-842b4336-6
0.284
DAR-DIA-842b4336-14
0.284
TRY-UNI-2eddb1ff-1
0.283
IND-SYN-6c8299e8-5
0.283
IND-SYN-3aa4e743-1
0.283
IAN-BAS-df1706d7-1
0.283
AAR-POS-d2a4d1df-20
0.283
MAK-UNK-de8f6d00-8
0.282