Molecular Properties | |
SMILES: | N#Cc1ccc(Nc2ccc(NC(=O)Nc3ccccc3)cn2)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-30aad1f1-2
0.652
MAK-UNK-30aad1f1-16
0.623
MAK-UNK-30aad1f1-9
0.568
MAK-UNK-30aad1f1-15
0.568
MAK-UNK-30aad1f1-12
0.563
MAK-UNK-30aad1f1-3
0.541
MAK-UNK-30aad1f1-4
0.481
MAK-UNK-30aad1f1-14
0.481
MAK-UNK-30aad1f1-8
0.474
MAK-UNK-30aad1f1-7
0.463
AAR-POS-d2a4d1df-11
0.429
ANN-UNI-26382800-3
0.426
JOH-UNK-14e6adc5-2
0.426
PET-SGC-0f1d26ed-1
0.421
MAK-UNK-30aad1f1-1
0.407
PET-SGC-0f1d26ed-2
0.400
PET-SGC-cb62ec31-1
0.397
MAK-UNK-30aad1f1-6
0.391
MAK-UNK-129dcd6f-8
0.383
MAK-UNK-129dcd6f-17
0.383
SID-ELM-2583a2cd-5
0.362
HAN-NEW-5f56c3bc-1
0.361
SID-ELM-b654bfa2-2
0.360
SID-ELM-8b394441-6
0.360
SID-ELM-2583a2cd-6
0.357
MAK-UNK-10dfa458-16
0.354
SID-ELM-8b394441-5
0.351
SID-ELM-8b394441-7
0.351
SID-ELM-2583a2cd-7
0.347
JOR-UNI-61e7b1d5-2
0.347
ANN-UNI-26382800-4
0.347
DAR-DIA-23aa0b97-5
0.347
WAR-XCH-eb7b662f-1
0.347
DAR-DIA-842b4336-9
0.342
MAK-UNK-37f1d6fa-2
0.340
CHR-SOS-363cfb78-1
0.333
SID-ELM-8b394441-1
0.333
MAK-UNK-ae34c249-3
0.333
SID-ELM-8b394441-3
0.333
SID-ELM-2583a2cd-11
0.329
SID-ELM-2583a2cd-10
0.329
MAK-UNK-752736de-7
0.329
SID-ELM-2583a2cd-17
0.329
SID-ELM-b654bfa2-1
0.329
ALE-HEI-f28a35b5-1
0.329
TRY-UNI-714a760b-4
0.329
AAR-POS-d2a4d1df-5
0.328
JAN-GHE-bf40f168-2
0.327
ROD-LAS-d5538ff9-9
0.325
SID-ELM-2583a2cd-9
0.325
MAK-UNK-de8f6d00-8
0.323
SID-ELM-b654bfa2-3
0.321
TRY-UNI-714a760b-8
0.320
JAN-GHE-bf40f168-4
0.317
WAR-XCH-eb7b662f-2
0.316
JAN-GHE-bf40f168-5
0.314
JAN-GHE-bf40f168-6
0.314
SID-ELM-b654bfa2-22
0.313
SID-ELM-8b394441-8
0.313
SID-ELM-2583a2cd-14
0.312
MAK-UNK-752736de-11
0.312
WIL-UNI-5578df48-12
0.312
WIL-UNI-5578df48-15
0.312
JOH-UNI-522b0723-10
0.310
SID-ELM-2583a2cd-20
0.309
SID-ELM-b654bfa2-6
0.309
SID-ELM-b654bfa2-19
0.309
SID-ELM-8b394441-13
0.309
MAK-UNK-129dcd6f-6
0.308
MAX-MCD-16e3709a-1
0.308
WIL-UNI-5578df48-10
0.308
MAK-UNK-129dcd6f-15
0.306
SID-ELM-b654bfa2-7
0.305
SID-ELM-8b394441-14
0.305
SID-ELM-8b394441-15
0.305
JOH-UNI-522b0723-8
0.304
JOH-UNI-522b0723-12
0.304
WAR-XCH-72a8c209-1
0.303
CHR-SOS-363cfb78-3
0.303
MAR-TRE-0fda4e82-84
0.302
JOR-UNI-61e7b1d5-1
0.302
SID-ELM-b654bfa2-4
0.301
SID-ELM-b654bfa2-17
0.301
SID-ELM-b654bfa2-18
0.301
SID-ELM-8b394441-10
0.301
SID-ELM-8b394441-12
0.301
SID-ELM-8b394441-9
0.301
JOH-UNI-522b0723-11
0.301
JOH-UNI-522b0723-13
0.301
DAR-DIA-23aa0b97-8
0.300
MAR-TRE-9d18ae8c-52
0.299
MAK-UNK-129dcd6f-7
0.299
MAK-UNK-10dfa458-31
0.299
JOH-UNI-522b0723-7
0.298
AAR-UNI-c25c2f1e-40
0.296
SID-ELM-2583a2cd-8
0.296
SID-ELM-2583a2cd-22
0.296
WIL-UNI-5578df48-11
0.296
ANN-UNI-26382800-6
0.295
MAR-TRE-f6f5f473-80
0.294