Molecular Properties | |
SMILES: | N#Cc1ccc(Nc2cncc(NC(=O)Nc3ccccc3)c2)nc1 |
MW: | 330.351 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 102.73 |
cLogP: | 3.73588 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-30aad1f1-3
0.644
MAK-UNK-30aad1f1-17
0.623
MAK-UNK-30aad1f1-15
0.564
MAK-UNK-30aad1f1-9
0.544
MAK-UNK-30aad1f1-12
0.539
MAK-UNK-30aad1f1-2
0.519
MAK-UNK-30aad1f1-8
0.512
SID-ELM-2583a2cd-6
0.507
MAK-UNK-30aad1f1-4
0.482
MAK-UNK-30aad1f1-14
0.463
SID-ELM-2583a2cd-5
0.449
PET-SGC-0f1d26ed-1
0.443
SID-ELM-2583a2cd-7
0.431
MAK-UNK-30aad1f1-7
0.414
PET-SGC-0f1d26ed-2
0.405
MAK-UNK-30aad1f1-1
0.396
CHR-SOS-363cfb78-1
0.395
AAR-POS-d2a4d1df-11
0.391
MAK-UNK-30aad1f1-6
0.380
DAR-DIA-23aa0b97-8
0.375
JOH-UNK-14e6adc5-2
0.373
ANN-UNI-26382800-3
0.373
HAN-NEW-5f56c3bc-1
0.368
SID-ELM-8b394441-5
0.359
DAR-DIA-23aa0b97-9
0.355
SID-ELM-2583a2cd-11
0.354
SID-ELM-2583a2cd-17
0.354
MAK-UNK-129dcd6f-7
0.352
SID-ELM-8b394441-6
0.350
MAK-UNK-129dcd6f-16
0.348
TRY-UNI-714a760b-8
0.346
WES-WAB-6f418dc2-1
0.344
DAR-DIA-23aa0b97-6
0.341
SID-ELM-8b394441-7
0.341
TRY-UNI-714a760b-4
0.338
ALE-HEI-f28a35b5-1
0.338
DAR-DIA-23aa0b97-5
0.338
JOR-UNI-61e7b1d5-2
0.338
ANN-UNI-26382800-4
0.338
SID-ELM-b654bfa2-1
0.338
WAR-XCH-eb7b662f-1
0.338
DAR-DIA-23aa0b97-17
0.337
SID-ELM-2583a2cd-20
0.333
SID-ELM-b654bfa2-2
0.333
SID-ELM-2583a2cd-9
0.333
CHR-SOS-363cfb78-2
0.333
MAK-UNK-129dcd6f-15
0.330
MAK-UNK-10dfa458-16
0.330
SID-ELM-b654bfa2-3
0.329
DAR-DIA-23aa0b97-10
0.326
JOR-UNI-61e7b1d5-1
0.326
WAR-XCH-eb7b662f-2
0.325
SID-ELM-8b394441-3
0.325
SID-ELM-8b394441-1
0.325
MAR-TRE-9d18ae8c-52
0.322
SID-ELM-2583a2cd-10
0.321
SID-ELM-2583a2cd-8
0.321
SID-ELM-2583a2cd-14
0.321
JAN-GHE-bf40f168-6
0.321
JOH-UNI-522b0723-7
0.320
ROD-LAS-d5538ff9-9
0.318
WIL-UNI-5578df48-10
0.317
MAK-UNK-129dcd6f-6
0.317
PET-SGC-cb62ec31-1
0.317
JOH-UNI-522b0723-9
0.316
JOH-UNI-522b0723-8
0.312
BEN-DND-61647d40-3
0.312
JAN-GHE-bf40f168-4
0.311
BEN-DND-61647d40-21
0.310
JOH-UNI-522b0723-11
0.309
JAN-GHE-bf40f168-5
0.308
MAK-UNK-de8f6d00-7
0.308
MAK-UNK-37f1d6fa-3
0.308
JAN-GHE-bf40f168-2
0.308
SID-ELM-b654bfa2-22
0.307
SID-ELM-8b394441-8
0.307
DAR-DIA-23aa0b97-7
0.306
WIL-UNI-5578df48-12
0.306
SID-ELM-2583a2cd-22
0.306
AAR-UNI-c25c2f1e-40
0.306
WIL-UNI-5578df48-11
0.306
JOH-UNI-522b0723-10
0.304
BEN-DND-61647d40-9
0.303
TRY-UNI-714a760b-23
0.303
SID-ELM-b654bfa2-6
0.302
DAR-DIA-842b4336-9
0.301
JAN-UNI-2e92c4b1-1
0.301
WIL-UNI-5578df48-13
0.301
AAR-POS-d2a4d1df-5
0.300
JOH-UNI-522b0723-12
0.299
TRY-UNI-714a760b-24
0.299
SID-ELM-b654bfa2-7
0.299
SID-ELM-8b394441-15
0.299
CHR-SOS-363cfb78-3
0.298
MAK-UNK-129dcd6f-17
0.297
MAK-UNK-129dcd6f-8
0.297
MAR-TRE-0fda4e82-84
0.297
JOH-UNI-522b0723-13
0.296
DAR-DIA-23aa0b97-3
0.295
MAK-UNK-51bb34f9-1
0.295