Molecular Properties | |
SMILES: | N#Cc1ccc(Nc2ncccc2NC(=O)Nc2ccccc2)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-30aad1f1-15
0.575
MAK-UNK-30aad1f1-17
0.568
MAK-UNK-30aad1f1-16
0.544
MAK-UNK-30aad1f1-4
0.494
MAK-UNK-30aad1f1-14
0.494
MAK-UNK-30aad1f1-3
0.459
MAK-UNK-30aad1f1-2
0.459
MAK-UNK-30aad1f1-12
0.458
SID-ELM-8b394441-3
0.452
PET-SGC-0f1d26ed-1
0.439
SID-ELM-8b394441-1
0.432
MAK-UNK-30aad1f1-1
0.424
MAK-UNK-30aad1f1-8
0.404
PET-SGC-0f1d26ed-2
0.402
MAK-UNK-30aad1f1-7
0.380
HAN-NEW-5f56c3bc-1
0.367
SID-ELM-2583a2cd-20
0.365
MAK-UNK-129dcd6f-1
0.359
SID-ELM-8b394441-5
0.358
MAK-UNK-129dcd6f-18
0.355
TRY-UNI-714a760b-4
0.354
ALE-HEI-f28a35b5-1
0.354
SID-ELM-2583a2cd-17
0.353
AAR-POS-d2a4d1df-11
0.351
SID-ELM-8b394441-6
0.349
SID-ELM-8b394441-7
0.341
JOH-UNK-14e6adc5-2
0.338
ANN-UNI-26382800-3
0.338
SID-ELM-b654bfa2-1
0.337
SID-ELM-2583a2cd-11
0.337
SID-ELM-2583a2cd-22
0.337
MAK-UNK-30aad1f1-6
0.337
SID-ELM-b654bfa2-2
0.333
WIL-UNI-5578df48-10
0.333
MAK-UNK-129dcd6f-6
0.333
MAK-UNK-129dcd6f-15
0.330
SID-ELM-b654bfa2-3
0.329
TRY-UNI-714a760b-8
0.329
JOR-UNI-61e7b1d5-1
0.326
WIL-UNI-5578df48-11
0.322
WIL-UNI-5578df48-12
0.322
SID-ELM-2583a2cd-9
0.318
WIL-UNI-5578df48-13
0.316
SID-ELM-b654bfa2-4
0.311
SID-ELM-8b394441-9
0.311
SID-ELM-b654bfa2-22
0.308
SID-ELM-8b394441-8
0.308
SID-ELM-2583a2cd-8
0.307
SID-ELM-2583a2cd-10
0.307
ROD-LAS-d5538ff9-9
0.304
MAR-TRE-1c920f6f-42
0.303
MAK-UNK-de8f6d00-1
0.303
PET-SGC-cb62ec31-1
0.302
DAR-DIA-23aa0b97-11
0.302
WIL-UNI-5578df48-9
0.301
SID-ELM-2583a2cd-5
0.300
TRY-UNI-714a760b-24
0.300
CHR-SOS-363cfb78-3
0.299
WAR-XCH-b0339bbe-9
0.298
CAS-DEP-751a2458-6
0.298
SID-ELM-2583a2cd-6
0.296
SID-ELM-2583a2cd-14
0.292
WAR-XCH-eb7b662f-1
0.291
DAR-DIA-23aa0b97-5
0.291
ANN-UNI-26382800-4
0.291
JOR-UNI-61e7b1d5-2
0.291
WAR-XCH-6eb0722e-1
0.290
SID-ELM-2583a2cd-7
0.289
SID-ELM-b654bfa2-6
0.289
NIC-UNI-0cb6411b-1
0.287
DAR-DIA-23aa0b97-10
0.286
SID-ELM-8b394441-14
0.286
SID-ELM-8b394441-15
0.286
SID-ELM-b654bfa2-7
0.286
JAN-GHE-bf40f168-6
0.286
MAK-UNK-129dcd6f-8
0.284
MAK-UNK-129dcd6f-17
0.284
AAR-POS-d2a4d1df-5
0.284
SID-ELM-b654bfa2-18
0.283
SID-ELM-8b394441-12
0.283
WAR-XCH-b0339bbe-16
0.281
DAR-DIA-23aa0b97-4
0.281
MAK-UNK-de8f6d00-6
0.281
CHR-SOS-363cfb78-1
0.279
DAR-DIA-03336633-1
0.279
HAN-NEW-5f56c3bc-3
0.279
WAR-XCH-6eb0722e-3
0.279
DAR-DIA-fc970077-14
0.278
TRY-UNI-714a760b-23
0.277
SID-ELM-8b394441-13
0.275
SID-ELM-b654bfa2-19
0.275
JOH-UNI-522b0723-12
0.275
MAK-UNK-10dfa458-16
0.274
MAK-UNK-51bb34f9-1
0.274
DAR-DIA-842b4336-9
0.273
WAR-XCH-72a8c209-1
0.273
JAN-GHE-bf40f168-2
0.273
DAR-DIA-03336633-11
0.272
SID-ELM-8b394441-11
0.272
SID-ELM-b654bfa2-5
0.272