Molecular Properties | |
SMILES: | Nc1cncc(NC(=O)Nc2ccccc2)c1 |
MW: | 228.255 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 80.04 |
cLogP: | 2.3078 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-23aa0b97-13
0.600
SID-ELM-2583a2cd-6
0.596
SID-ELM-2583a2cd-7
0.574
DAR-DIA-23aa0b97-8
0.559
DAR-DIA-23aa0b97-9
0.545
DAN-PUR-19f24f0c-1
0.543
AAR-POS-d2a4d1df-11
0.529
SID-ELM-8b394441-5
0.492
SID-ELM-b654bfa2-1
0.483
TRY-UNI-714a760b-8
0.475
MAK-UNK-30aad1f1-3
0.457
MAK-UNK-129dcd6f-16
0.457
MAK-UNK-30aad1f1-16
0.449
MAK-UNK-129dcd6f-7
0.443
FRA-FAC-9ed5a63a-5
0.431
TRY-UNI-714a760b-4
0.417
ALE-HEI-f28a35b5-1
0.417
HAN-NEW-5f56c3bc-1
0.410
SID-ELM-2583a2cd-11
0.409
SID-ELM-2583a2cd-8
0.409
SID-ELM-2583a2cd-16
0.397
SID-ELM-2583a2cd-17
0.388
SID-ELM-2583a2cd-22
0.388
SID-ELM-2583a2cd-14
0.388
SID-ELM-2583a2cd-10
0.388
MAK-UNK-129dcd6f-6
0.385
SID-ELM-b654bfa2-2
0.385
SID-ELM-8b394441-6
0.385
WIL-UNI-5578df48-10
0.385
SID-ELM-2583a2cd-9
0.382
SID-ELM-2583a2cd-20
0.382
SID-ELM-b654bfa2-3
0.379
MAX-MCD-16e3709a-1
0.377
DAR-DIA-23aa0b97-15
0.377
SID-ELM-8b394441-1
0.377
SID-ELM-8b394441-3
0.377
SID-ELM-b654bfa2-7
0.377
SID-ELM-8b394441-7
0.373
WIL-UNI-5578df48-12
0.368
WIL-UNI-5578df48-11
0.368
SID-ELM-b654bfa2-22
0.366
SID-ELM-8b394441-8
0.366
MAR-TRE-9d18ae8c-52
0.365
MAK-UNK-30aad1f1-17
0.362
SID-ELM-b654bfa2-19
0.362
SID-ELM-8b394441-13
0.362
ROD-LAS-d5538ff9-9
0.361
MAK-UNK-30aad1f1-2
0.360
SID-ELM-8b394441-11
0.357
SID-ELM-8b394441-15
0.357
MAK-UNK-37f1d6fa-3
0.356
WIL-UNI-5578df48-13
0.355
CHR-SOS-363cfb78-1
0.354
SAD-SAT-689b7d5a-3
0.353
PET-SGC-0f1d26ed-1
0.352
SID-ELM-b654bfa2-4
0.352
SID-ELM-8b394441-9
0.352
SID-ELM-8b394441-10
0.352
SID-ELM-b654bfa2-17
0.352
MAK-UNK-129dcd6f-8
0.351
MAK-UNK-129dcd6f-17
0.351
PET-SGC-0f1d26ed-2
0.348
AAR-UNI-c25c2f1e-40
0.348
SID-ELM-b654bfa2-6
0.343
AAR-UNI-c25c2f1e-65
0.343
MAK-UNK-de8f6d00-7
0.341
SID-ELM-8b394441-14
0.338
AAR-UNI-c25c2f1e-31
0.338
SID-ELM-b654bfa2-5
0.338
JAN-LUN-3e0f9c09-2
0.338
MAK-UNK-129dcd6f-15
0.338
JAN-LUN-8953ce76-4
0.338
WIL-UNI-5578df48-9
0.338
WES-WAB-6f418dc2-1
0.338
GIA-UNK-3f36037a-7
0.333
MAK-UNK-129dcd6f-18
0.333
SID-ELM-8b394441-12
0.333
SID-ELM-b654bfa2-18
0.333
DAR-DIA-23aa0b97-7
0.329
WIL-UNI-5578df48-15
0.329
DAR-DIA-fc970077-9
0.328
ANN-UNI-26382800-3
0.328
WIL-UNI-5578df48-6
0.328
JOH-UNK-14e6adc5-2
0.328
SAD-SAT-6b5a89f0-8
0.327
JAN-LUN-8953ce76-7
0.324
JAN-LUN-8953ce76-1
0.324
JAN-LUN-3e0f9c09-4
0.324
WAR-XCH-79d12f6e-10
0.323
WAR-XCH-b0339bbe-20
0.323
DAR-DIA-03336633-1
0.321
HAN-NEW-5f56c3bc-3
0.321
WES-WAB-2b40d25a-1
0.321
CHR-SOS-7098f804-9
0.321
MAK-UNK-129dcd6f-1
0.321
JAN-LUN-8953ce76-6
0.320
JAN-LUN-3e0f9c09-1
0.320
MAR-TRE-4f781e27-49
0.318
WAR-XCH-eb7b662f-3
0.317
WAR-XCH-79d12f6e-3
0.317