Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cncc2ncccc12 |
MW: | 264.288 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.2738 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-2583a2cd-17
0.615
SID-ELM-2583a2cd-11
0.522
SID-ELM-8b394441-9
0.521
SID-ELM-b654bfa2-4
0.500
MIC-UNK-08cd9c58-1
0.487
MAT-POS-f7918075-3
0.487
SID-ELM-2583a2cd-10
0.479
SID-ELM-2583a2cd-8
0.479
SID-ELM-8b394441-1
0.477
SID-ELM-2583a2cd-21
0.474
HAN-NEW-5f56c3bc-1
0.463
SID-ELM-8b394441-3
0.455
TRY-UNI-714a760b-4
0.448
ALE-HEI-f28a35b5-1
0.448
MAK-UNK-129dcd6f-6
0.437
TRY-UNI-714a760b-8
0.435
AAR-POS-d2a4d1df-11
0.429
MAK-UNK-129dcd6f-1
0.420
WIL-UNI-5578df48-11
0.419
WIL-UNI-5578df48-10
0.417
SID-ELM-2583a2cd-9
0.413
WIL-UNI-5578df48-12
0.400
SID-ELM-2583a2cd-22
0.400
MAK-UNK-129dcd6f-18
0.398
SID-ELM-8b394441-8
0.397
SID-ELM-8b394441-5
0.389
MAK-UNK-129dcd6f-15
0.388
SID-ELM-b654bfa2-1
0.384
SID-ELM-2583a2cd-5
0.382
SID-ELM-b654bfa2-22
0.380
SID-ELM-b654bfa2-2
0.378
SID-ELM-8b394441-6
0.378
SID-ELM-2583a2cd-6
0.377
SID-ELM-b654bfa2-3
0.373
SID-ELM-8b394441-15
0.372
WIL-UNI-5578df48-9
0.370
SID-ELM-8b394441-7
0.368
PET-SGC-0f1d26ed-1
0.367
SID-ELM-2583a2cd-7
0.366
MAK-UNK-30aad1f1-15
0.365
MAK-UNK-30aad1f1-9
0.365
SID-ELM-2583a2cd-14
0.364
MAK-UNK-de8f6d00-6
0.360
MAK-UNK-129dcd6f-16
0.357
SID-ELM-b654bfa2-7
0.354
WIL-UNI-5578df48-13
0.353
HAN-NEW-5f56c3bc-3
0.352
DAR-DIA-03336633-1
0.352
MAK-UNK-129dcd6f-17
0.349
MAK-UNK-129dcd6f-8
0.349
CHR-SOS-363cfb78-3
0.349
MAK-UNK-30aad1f1-4
0.348
PET-SGC-0f1d26ed-2
0.346
TAM-UNI-c140e31a-19
0.346
MAK-UNK-129dcd6f-7
0.345
DAR-DIA-23aa0b97-18
0.345
SID-ELM-b654bfa2-6
0.342
MAK-UNK-de8f6d00-7
0.340
SID-ELM-8b394441-14
0.338
MAK-UNK-de8f6d00-1
0.333
SID-ELM-8b394441-10
0.333
MAK-UNK-30aad1f1-16
0.333
NIC-UNI-0cb6411b-1
0.333
DAR-DIA-03336633-11
0.330
DAR-DIA-fc970077-14
0.329
WIL-UNI-5578df48-6
0.329
DAR-DIA-fc970077-9
0.329
MAK-UNK-30aad1f1-3
0.326
ROD-LAS-d5538ff9-9
0.325
SID-ELM-8b394441-13
0.325
SID-ELM-8b394441-11
0.321
DAR-DIA-0cde14eb-50
0.318
SID-ELM-b654bfa2-18
0.317
SID-ELM-b654bfa2-17
0.317
SID-ELM-8b394441-12
0.317
WAR-XCH-b0339bbe-9
0.316
DAR-DIA-0cde14eb-51
0.315
DAR-DIA-0cde14eb-52
0.315
DAR-DIA-0cde14eb-53
0.315
MAK-UNK-37f1d6fa-4
0.314
GIA-UNK-3f36037a-7
0.313
MAK-UNK-de8f6d00-8
0.310
SID-ELM-b654bfa2-19
0.309
MAK-UNK-30aad1f1-17
0.309
MAX-MCD-16e3709a-1
0.308
DAR-DIA-23aa0b97-20
0.308
DAR-DIA-0cde14eb-54
0.308
SID-ELM-b654bfa2-5
0.305
WIL-UNI-5578df48-5
0.305
WIL-UNI-5578df48-8
0.304
DAR-DIA-23aa0b97-10
0.303
MAR-TRE-4f781e27-49
0.303
CAS-DEP-751a2458-6
0.303
BEN-DND-031a96cc-8
0.301
WIL-UNI-5578df48-7
0.300
MAR-TRE-9d18ae8c-52
0.299
MAK-UNK-919546f0-2
0.296
MAK-UNK-f481d203-3
0.296
MAK-UNK-f481d203-4
0.296
MAK-UNK-30aad1f1-2
0.295