Molecular Properties | |
SMILES: | N#Cc1ccc(NCc2ccncc2NC(=O)Nc2ccccc2)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-30aad1f1-1
0.607
MAK-UNK-30aad1f1-15
0.585
MAK-UNK-30aad1f1-3
0.580
MAK-UNK-30aad1f1-2
0.561
WIL-UNI-5578df48-11
0.506
MAK-UNK-30aad1f1-7
0.506
MAK-UNK-30aad1f1-9
0.494
MAK-UNK-30aad1f1-16
0.482
MAK-UNK-30aad1f1-17
0.481
MAK-UNK-30aad1f1-6
0.467
MAK-UNK-30aad1f1-14
0.438
PET-SGC-0f1d26ed-1
0.435
ALE-HEI-f28a35b5-1
0.423
TRY-UNI-714a760b-4
0.423
MAK-UNK-30aad1f1-12
0.420
PET-SGC-0f1d26ed-2
0.417
MAK-UNK-129dcd6f-6
0.415
DAR-DIA-03336633-1
0.412
HAN-NEW-5f56c3bc-3
0.412
DAR-DIA-03336633-11
0.406
WIL-UNI-5578df48-10
0.398
MAK-UNK-129dcd6f-15
0.389
MAK-UNK-30aad1f1-8
0.387
WIL-UNI-5578df48-12
0.384
HAN-NEW-5f56c3bc-1
0.383
DAR-DIA-03336633-4
0.374
MAK-UNK-129dcd6f-1
0.372
MAK-UNK-148caf23-15
0.369
MAK-UNK-129dcd6f-18
0.368
AAR-POS-d2a4d1df-11
0.368
SID-ELM-2583a2cd-17
0.368
THO-SYG-cc9e9a11-8
0.360
TRY-UNI-714a760b-24
0.360
WIL-UNI-5578df48-9
0.359
WIL-UNI-5578df48-13
0.358
JOR-UNI-61e7b1d5-1
0.355
ANN-UNI-26382800-3
0.354
JOH-UNK-14e6adc5-2
0.354
SID-ELM-2583a2cd-11
0.352
SID-ELM-2583a2cd-22
0.352
WAR-XCH-b0339bbe-9
0.350
SID-ELM-2583a2cd-20
0.348
TRY-UNI-714a760b-8
0.345
MAK-UNK-51bb34f9-1
0.342
SID-ELM-8b394441-1
0.341
SID-ELM-8b394441-3
0.341
SID-ELM-8b394441-5
0.341
MAK-UNK-129dcd6f-17
0.340
MAK-UNK-129dcd6f-8
0.340
THO-SYG-cc9e9a11-7
0.340
AAR-POS-d2a4d1df-5
0.338
MAK-UNK-129dcd6f-7
0.337
SID-ELM-8b394441-6
0.333
SID-ELM-2583a2cd-9
0.333
MAK-UNK-37f1d6fa-4
0.333
CHR-SOS-363cfb78-2
0.333
MAK-UNK-148caf23-23
0.330
ANU-UNK-2781581f-2
0.330
MAK-UNK-de8f6d00-6
0.327
CHR-SOS-363cfb78-3
0.327
TRY-UNI-1fd04853-2
0.326
SID-ELM-8b394441-7
0.326
SID-ELM-2583a2cd-8
0.322
SID-ELM-2583a2cd-10
0.322
WAR-XCH-eb7b662f-1
0.322
ANN-UNI-26382800-4
0.322
DAR-DIA-23aa0b97-5
0.322
JOR-UNI-61e7b1d5-2
0.322
SID-ELM-b654bfa2-1
0.322
MAK-UNK-129dcd6f-16
0.320
SID-ELM-b654bfa2-2
0.318
SID-ELM-2583a2cd-5
0.317
WAR-XCH-6eb0722e-1
0.317
MAK-UNK-ae34c249-4
0.316
SAD-SAT-24589cd1-8
0.316
SID-ELM-b654bfa2-3
0.315
HAR-NEW-ca1d46ce-2
0.314
MAK-UNK-148caf23-20
0.314
THO-SYG-cc9e9a11-5
0.312
CHA-KIN-ceadbd93-5
0.312
DAR-DIA-23aa0b97-4
0.311
CHR-SOS-363cfb78-1
0.310
THO-SYG-cc9e9a11-6
0.309
SAD-SAT-cefd50cc-10
0.309
MAK-UNK-10dfa458-31
0.309
SID-ELM-b654bfa2-22
0.309
SID-ELM-8b394441-8
0.309
MAK-UNK-148caf23-12
0.308
THO-SYG-cc9e9a11-4
0.308
TRY-UNI-1fd04853-1
0.306
PET-SGC-175e168c-1
0.306
ROD-LAS-d5538ff9-9
0.305
TRY-UNI-714a760b-23
0.305
WAR-XCH-6eb0722e-3
0.305
MAK-UNK-148caf23-11
0.304
DAR-DIA-03336633-15
0.303
PET-SGC-cb62ec31-1
0.303
DAR-DIA-0cde14eb-7
0.302
HAR-NEW-ca1d46ce-1
0.302
NIC-UNI-0cb6411b-1
0.301