Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cncc2[nH]ncc12 |
MW: | 253.265 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 82.7 |
cLogP: | 2.6019 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-2583a2cd-8
0.576
SID-ELM-2583a2cd-9
0.500
SID-ELM-8b394441-14
0.493
RUB-POS-1325a9ea-13
0.486
SID-ELM-b654bfa2-18
0.486
SID-ELM-2583a2cd-17
0.486
SID-ELM-2583a2cd-20
0.479
HAN-NEW-5f56c3bc-1
0.448
TRY-UNI-714a760b-8
0.441
SID-ELM-2583a2cd-12
0.440
TRY-UNI-714a760b-4
0.433
ALE-HEI-f28a35b5-1
0.433
WIL-UNI-5578df48-10
0.423
WIL-UNI-5578df48-12
0.405
SID-ELM-2583a2cd-11
0.405
MAK-UNK-129dcd6f-6
0.403
SID-ELM-8b394441-1
0.397
SID-ELM-8b394441-3
0.397
SID-ELM-8b394441-5
0.394
MAK-UNK-129dcd6f-15
0.392
AAR-POS-d2a4d1df-11
0.391
SID-ELM-2583a2cd-5
0.388
WIL-UNI-5578df48-11
0.387
SID-ELM-2583a2cd-22
0.387
SID-ELM-8b394441-6
0.384
SID-ELM-2583a2cd-6
0.382
SID-ELM-8b394441-13
0.382
WIL-UNI-5578df48-9
0.375
SID-ELM-8b394441-7
0.373
SID-ELM-b654bfa2-17
0.372
SID-ELM-2583a2cd-7
0.371
SID-ELM-b654bfa2-1
0.370
SID-ELM-8b394441-8
0.367
SID-ELM-b654bfa2-2
0.365
SID-ELM-b654bfa2-3
0.360
SID-ELM-8b394441-10
0.354
MAK-UNK-129dcd6f-17
0.354
PET-SGC-0f1d26ed-2
0.351
SID-ELM-b654bfa2-22
0.350
DAR-DIA-0cde14eb-51
0.349
WAR-XCH-b0339bbe-9
0.348
SID-ELM-b654bfa2-19
0.346
WIL-UNI-5578df48-13
0.341
MAK-UNK-129dcd6f-1
0.341
PET-SGC-0f1d26ed-1
0.338
MAK-UNK-30aad1f1-15
0.337
MAK-UNK-129dcd6f-18
0.337
NIC-UNI-0cb6411b-1
0.337
SID-ELM-2583a2cd-14
0.333
MAK-UNK-129dcd6f-7
0.333
DAR-DIA-03336633-11
0.333
MAK-UNK-37f1d6fa-4
0.330
MAK-UNK-129dcd6f-16
0.329
MAK-UNK-30aad1f1-17
0.329
HAN-NEW-5f56c3bc-3
0.326
DAR-DIA-03336633-1
0.326
SID-ELM-8b394441-15
0.325
MAK-UNK-30aad1f1-4
0.322
DAR-DIA-0cde14eb-50
0.322
CHR-SOS-363cfb78-3
0.322
MAK-UNK-30aad1f1-16
0.321
MAK-UNK-129dcd6f-8
0.321
SID-ELM-8b394441-9
0.321
DAR-DIA-0cde14eb-52
0.318
DAR-DIA-0cde14eb-53
0.318
MAK-UNK-37f1d6fa-2
0.316
MAX-MCD-16e3709a-1
0.312
DAR-DIA-23aa0b97-20
0.312
SAD-SAT-6b5a89f0-8
0.311
DAR-DIA-0cde14eb-54
0.311
MAK-UNK-30aad1f1-9
0.307
SID-ELM-b654bfa2-4
0.305
SID-ELM-8b394441-12
0.305
MAK-UNK-37f1d6fa-3
0.303
MAR-TRE-9d18ae8c-52
0.302
AAR-UNI-c25c2f1e-40
0.300
MAK-UNK-30aad1f1-3
0.299
MAK-UNK-de8f6d00-6
0.298
JAG-UCB-cedd89ab-7
0.298
WIL-UNI-5578df48-6
0.297
DAR-DIA-fc970077-9
0.297
DAR-DIA-0cde14eb-36
0.297
RAL-THA-2d450e86-36
0.296
SID-ELM-b654bfa2-6
0.296
RAL-THA-2d450e86-1
0.295
MAT-POS-fce787c2-6
0.294
MAK-UNK-d1e89583-4
0.293
SID-ELM-8b394441-11
0.293
SID-ELM-b654bfa2-7
0.293
AAR-UNI-c25c2f1e-31
0.293
LON-WEI-af038623-3
0.292
WAR-XCH-b0339bbe-20
0.292
WAR-XCH-79d12f6e-10
0.292
RAL-THA-2d450e86-20
0.291
MAT-POS-afd4d4fd-1
0.291
MAR-TRE-4f781e27-49
0.289
AAR-UNI-c25c2f1e-71
0.289
WAR-XCH-79d12f6e-3
0.288
AAR-UNI-c25c2f1e-16
0.287
WIL-UNI-5578df48-7
0.287