Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cncc2nccnc12 |
MW: | 265.276 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 2.6688 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-2583a2cd-20
0.522
JIN-POS-6dc588a4-10
0.500
SID-ELM-2583a2cd-9
0.500
SID-ELM-8b394441-15
0.493
SID-ELM-b654bfa2-7
0.493
SID-ELM-2583a2cd-17
0.486
ALE-HEI-f28a35b5-1
0.455
TRY-UNI-714a760b-4
0.455
HAN-NEW-5f56c3bc-1
0.448
MAK-UNK-129dcd6f-6
0.443
TRY-UNI-714a760b-8
0.441
SID-ELM-2583a2cd-3
0.440
WIL-UNI-5578df48-10
0.423
SID-ELM-8b394441-1
0.418
SID-ELM-8b394441-3
0.418
AAR-POS-d2a4d1df-11
0.413
SID-ELM-2583a2cd-5
0.409
SID-ELM-2583a2cd-8
0.405
SID-ELM-2583a2cd-22
0.405
WIL-UNI-5578df48-11
0.405
SID-ELM-2583a2cd-10
0.405
WIL-UNI-5578df48-12
0.405
SID-ELM-2583a2cd-6
0.403
MAK-UNK-129dcd6f-18
0.402
SID-ELM-b654bfa2-3
0.397
SID-ELM-8b394441-5
0.394
SID-ELM-8b394441-7
0.392
SID-ELM-2583a2cd-7
0.391
SID-ELM-b654bfa2-1
0.389
SID-ELM-b654bfa2-2
0.384
SID-ELM-8b394441-6
0.384
MAK-UNK-129dcd6f-7
0.383
MAK-UNK-129dcd6f-15
0.375
WIL-UNI-5578df48-9
0.375
MAK-UNK-129dcd6f-1
0.373
MAK-UNK-30aad1f1-15
0.369
SID-ELM-2583a2cd-14
0.368
MAR-UCB-fd2e172f-2
0.362
MAK-UNK-129dcd6f-16
0.361
WIL-UNI-5578df48-13
0.357
DAR-DIA-03336633-1
0.356
HAN-NEW-5f56c3bc-3
0.356
SID-ELM-b654bfa2-4
0.354
PET-SGC-0f1d26ed-1
0.354
SID-ELM-8b394441-9
0.354
MAK-UNK-129dcd6f-17
0.354
MAK-UNK-129dcd6f-8
0.354
MAK-UNK-30aad1f1-16
0.354
MAK-UNK-30aad1f1-4
0.352
SID-ELM-b654bfa2-22
0.350
SID-ELM-8b394441-8
0.350
ROD-LAS-d5538ff9-9
0.346
MAK-UNK-30aad1f1-9
0.337
PET-SGC-0f1d26ed-2
0.333
DAR-DIA-03336633-11
0.333
DAR-DIA-fc970077-9
0.333
MAK-UNK-30aad1f1-3
0.329
SID-ELM-b654bfa2-6
0.329
SID-ELM-8b394441-13
0.329
SID-ELM-b654bfa2-19
0.329
MAK-UNK-30aad1f1-17
0.329
SID-ELM-8b394441-12
0.321
WAR-XCH-b0339bbe-9
0.319
GIA-UNK-3f36037a-7
0.318
MAK-UNK-37f1d6fa-4
0.317
WIL-UNI-5578df48-6
0.315
MAX-MCD-16e3709a-1
0.312
SAD-SAT-689b7d5a-5
0.310
SID-ELM-8b394441-14
0.309
SID-ELM-b654bfa2-5
0.309
SID-ELM-8b394441-11
0.309
NIC-UNI-0cb6411b-1
0.308
CHR-SOS-363cfb78-3
0.307
SID-ELM-b654bfa2-17
0.305
SID-ELM-b654bfa2-18
0.305
SID-ELM-8b394441-10
0.305
DAR-DIA-fc970077-14
0.300
MAK-UNK-30aad1f1-2
0.299
MAK-UNK-de8f6d00-6
0.298
TAT-ENA-80bfd3e5-23
0.297
WIL-UNI-5578df48-5
0.293
WIL-UNI-5578df48-8
0.291
MAK-UNK-37f1d6fa-3
0.290
BEN-DND-031a96cc-8
0.288
WIL-UNI-5578df48-7
0.287
MAR-TRE-9d18ae8c-52
0.287
MAK-UNK-ae34c249-4
0.286
ANT-OPE-81f9835f-1
0.286
CHR-SOS-7098f804-9
0.286
MAR-TRE-e86a56b5-66
0.286
WES-WAB-6f418dc2-1
0.281
JIA-UNI-12b1f9ae-1
0.280
SIM-SYN-a98e6a07-2
0.279
MAK-UNK-de8f6d00-7
0.279
DAR-DIA-23aa0b97-20
0.278
ANU-UNK-2781581f-1
0.278
WIL-UNI-5578df48-2
0.278
RED-SAT-26a928c9-1
0.278
MAK-UNK-d1e89583-4
0.276
MAK-UNK-129dcd6f-5
0.276