Molecular Properties | |
SMILES: | N#Cc1ccc(NCc2ccc(NC(=O)Nc3ccccc3)cn2)nc1 |
MW: | 344.378 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 102.73 |
cLogP: | 3.60438 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-30aad1f1-17
0.652
MAK-UNK-30aad1f1-3
0.649
MAK-UNK-30aad1f1-4
0.561
MAK-UNK-30aad1f1-7
0.543
MAK-UNK-30aad1f1-16
0.519
MAK-UNK-30aad1f1-1
0.483
MAK-UNK-30aad1f1-6
0.466
MAK-UNK-30aad1f1-9
0.459
MAK-UNK-30aad1f1-15
0.459
MAK-UNK-30aad1f1-12
0.451
PET-SGC-0f1d26ed-1
0.415
PET-SGC-0f1d26ed-2
0.395
MAK-UNK-30aad1f1-14
0.386
MAK-UNK-30aad1f1-8
0.382
ANN-UNI-26382800-3
0.382
JOH-UNK-14e6adc5-2
0.382
AAR-POS-d2a4d1df-11
0.380
MAK-UNK-148caf23-17
0.377
AAR-POS-d2a4d1df-5
0.368
MAK-UNK-129dcd6f-17
0.364
SID-ELM-2583a2cd-5
0.360
MAK-UNK-129dcd6f-8
0.348
SID-ELM-b654bfa2-2
0.341
SID-ELM-2583a2cd-6
0.338
CHR-SOS-363cfb78-1
0.333
MAK-UNK-ae34c249-3
0.333
SID-ELM-2583a2cd-7
0.329
MAK-UNK-37f1d6fa-2
0.327
PET-SGC-cb62ec31-1
0.325
SID-ELM-8b394441-6
0.325
HAN-NEW-5f56c3bc-1
0.325
SID-ELM-8b394441-7
0.318
SID-ELM-8b394441-5
0.317
SID-ELM-2583a2cd-17
0.314
SID-ELM-b654bfa2-1
0.313
MAK-UNK-51bb34f9-1
0.312
MAK-UNK-de8f6d00-8
0.311
ROD-LAS-d5538ff9-9
0.311
SID-ELM-2583a2cd-9
0.310
TRY-UNI-1fd04853-12
0.309
SID-ELM-8b394441-14
0.307
AAR-UNI-c25c2f1e-31
0.307
SID-ELM-b654bfa2-3
0.306
TRY-UNI-714a760b-8
0.305
JOR-UNI-61e7b1d5-1
0.304
PET-SGC-cb83a00c-1
0.302
WAR-XCH-b0339bbe-16
0.301
MAR-TRE-9d18ae8c-52
0.301
MAK-UNK-129dcd6f-7
0.301
SID-ELM-8b394441-1
0.300
SID-ELM-8b394441-3
0.300
WIL-UNI-5578df48-11
0.299
SID-ELM-2583a2cd-11
0.299
SID-ELM-2583a2cd-14
0.299
WIL-UNI-5578df48-12
0.299
WAR-XCH-eb7b662f-1
0.298
ANN-UNI-26382800-4
0.298
DAR-DIA-23aa0b97-5
0.298
JOR-UNI-61e7b1d5-2
0.298
ALE-HEI-f28a35b5-1
0.296
TRY-UNI-714a760b-4
0.296
SID-ELM-2583a2cd-20
0.295
WIL-UNI-5578df48-10
0.294
DAR-DIA-842b4336-9
0.294
MAK-UNK-10dfa458-16
0.293
NIC-UNI-0cb6411b-1
0.293
JOH-UNI-522b0723-8
0.293
MAK-UNK-148caf23-15
0.292
MAR-TRE-0fda4e82-84
0.290
MAK-UNK-148caf23-16
0.289
DAR-DIA-23aa0b97-8
0.287
WAR-XCH-eb7b662f-2
0.287
MAK-UNK-10dfa458-31
0.287
JOH-UNI-522b0723-7
0.287
SID-ELM-8b394441-8
0.286
MAR-TRE-a3327163-66
0.286
SID-ELM-b654bfa2-22
0.286
MAK-UNK-148caf23-11
0.286
JOH-UNI-522b0723-10
0.284
DAR-DIA-23aa0b97-17
0.284
WIL-UNI-5578df48-15
0.284
SID-ELM-2583a2cd-8
0.284
SID-ELM-2583a2cd-10
0.284
MAK-UNK-752736de-7
0.284
AAR-UNI-c25c2f1e-40
0.284
JAN-GHE-bf40f168-4
0.282
AAR-UNI-c25c2f1e-65
0.281
SID-ELM-b654bfa2-19
0.281
SID-ELM-8b394441-13
0.281
SID-ELM-b654bfa2-6
0.281
JAN-GHE-bf40f168-7
0.281
MAK-UNK-148caf23-18
0.281
DAR-DIA-23aa0b97-9
0.280
JOH-UNI-c7afdb96-12
0.280
JOH-UNI-522b0723-12
0.280
MAK-UNK-129dcd6f-15
0.280
JAN-GHE-bf40f168-6
0.279
MAK-UNK-129dcd6f-6
0.279
WAR-XCH-72a8c209-1
0.278
CHR-SOS-363cfb78-3
0.278