Molecular Properties | |
SMILES: | N#Cc1ccc(NCc2cncc(NC(=O)Nc3ccccc3)c2)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-30aad1f1-2
0.649
MAK-UNK-30aad1f1-16
0.644
MAK-UNK-30aad1f1-7
0.582
MAK-UNK-30aad1f1-4
0.580
MAK-UNK-30aad1f1-6
0.554
MAK-UNK-30aad1f1-17
0.541
MAK-UNK-30aad1f1-1
0.483
MAK-UNK-30aad1f1-15
0.476
MAK-UNK-30aad1f1-9
0.459
SID-ELM-2583a2cd-5
0.457
SID-ELM-2583a2cd-6
0.451
MAK-UNK-30aad1f1-12
0.434
PET-SGC-0f1d26ed-1
0.432
SID-ELM-2583a2cd-7
0.419
PET-SGC-0f1d26ed-2
0.412
MAK-UNK-30aad1f1-8
0.398
MAK-UNK-148caf23-16
0.387
MAK-UNK-30aad1f1-14
0.386
CHR-SOS-363cfb78-1
0.385
AAR-POS-d2a4d1df-11
0.380
AAR-POS-d2a4d1df-5
0.368
DAR-DIA-23aa0b97-6
0.366
DAR-DIA-23aa0b97-8
0.366
DAR-DIA-23aa0b97-9
0.364
JOH-UNK-14e6adc5-2
0.364
ANN-UNI-26382800-3
0.364
MAK-UNK-129dcd6f-7
0.360
MAR-TRE-9d18ae8c-52
0.360
AAR-UNI-c25c2f1e-31
0.353
SID-ELM-2583a2cd-17
0.345
DAR-DIA-23aa0b97-17
0.345
HAN-NEW-5f56c3bc-1
0.342
PET-SGC-cb62ec31-1
0.341
MAK-UNK-129dcd6f-16
0.341
SID-ELM-8b394441-5
0.333
DAR-DIA-23aa0b97-7
0.329
SID-ELM-2583a2cd-11
0.329
WIL-UNI-5578df48-11
0.329
ALE-HEI-f28a35b5-1
0.329
TRY-UNI-714a760b-4
0.329
MAK-UNK-148caf23-15
0.327
MAK-UNK-148caf23-18
0.327
JAN-LUN-8953ce76-1
0.326
JAN-LUN-3e0f9c09-4
0.326
ROD-LAS-d5538ff9-9
0.326
JAN-LUN-8953ce76-7
0.326
SID-ELM-2583a2cd-20
0.326
AAR-UNI-c25c2f1e-65
0.326
CHR-SOS-363cfb78-2
0.326
SID-ELM-8b394441-6
0.325
MAK-UNK-148caf23-22
0.324
MAK-UNK-51bb34f9-1
0.324
WES-WAB-2b40d25a-1
0.323
WES-WAB-6f418dc2-1
0.323
JAN-LUN-8953ce76-4
0.322
JAN-LUN-8953ce76-6
0.322
JAN-LUN-3e0f9c09-2
0.322
JAN-LUN-3e0f9c09-1
0.322
MAK-UNK-148caf23-21
0.321
TRY-UNI-714a760b-8
0.321
JOR-UNI-61e7b1d5-1
0.319
SID-ELM-8b394441-7
0.318
BEN-DND-61647d40-21
0.318
MAK-UNK-de8f6d00-7
0.315
SID-ELM-b654bfa2-22
0.315
SID-ELM-8b394441-8
0.315
MAK-UNK-37f1d6fa-3
0.314
SID-ELM-2583a2cd-14
0.314
WAR-XCH-eb7b662f-1
0.313
DAR-DIA-23aa0b97-5
0.313
SID-ELM-b654bfa2-1
0.313
JOR-UNI-61e7b1d5-2
0.313
ANN-UNI-26382800-4
0.313
JOH-UNI-522b0723-7
0.313
MAK-UNK-148caf23-12
0.312
SID-ELM-2583a2cd-9
0.310
SID-ELM-b654bfa2-2
0.310
MAK-UNK-148caf23-11
0.309
NIC-UNI-0cb6411b-1
0.306
SID-ELM-b654bfa2-3
0.306
DAR-DIA-23aa0b97-10
0.305
BEN-DND-61647d40-3
0.305
MAR-TRE-0fda4e82-84
0.304
MAK-UNK-129dcd6f-8
0.304
MAK-UNK-148caf23-17
0.304
DAR-DIA-23aa0b97-3
0.303
DAR-DIA-23aa0b97-4
0.302
WAR-XCH-eb7b662f-2
0.302
DAR-DIA-23aa0b97-2
0.302
WAR-XCH-b0339bbe-16
0.301
MAK-UNK-148caf23-23
0.301
SID-ELM-8b394441-3
0.300
SID-ELM-8b394441-1
0.300
MAK-UNK-af83ef51-26
0.299
SID-ELM-2583a2cd-8
0.299
SID-ELM-2583a2cd-10
0.299
ANN-UNI-26382800-5
0.299
AAR-UNI-c25c2f1e-40
0.299
MAK-UNK-148caf23-19
0.298
JOH-UNI-522b0723-10
0.298