Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cncc2[nH]cnc12 |
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-b654bfa2-19
0.514
SID-ELM-8b394441-13
0.514
SID-ELM-2583a2cd-8
0.500
SID-ELM-2583a2cd-10
0.500
SID-ELM-2583a2cd-11
0.500
SID-ELM-2583a2cd-18
0.447
HAN-NEW-5f56c3bc-1
0.441
TRY-UNI-714a760b-8
0.435
AAR-POS-d2a4d1df-11
0.429
TRY-UNI-714a760b-4
0.426
ALE-HEI-f28a35b5-1
0.426
SID-ELM-2583a2cd-17
0.419
WIL-UNI-5578df48-10
0.417
SID-ELM-2583a2cd-20
0.413
SID-ELM-b654bfa2-1
0.403
SID-ELM-8b394441-6
0.397
SID-ELM-b654bfa2-2
0.397
MAK-UNK-129dcd6f-6
0.397
SID-ELM-2583a2cd-6
0.397
SID-ELM-8b394441-1
0.391
SID-ELM-8b394441-3
0.391
SID-ELM-8b394441-5
0.389
SID-ELM-8b394441-7
0.387
SID-ELM-2583a2cd-5
0.382
WIL-UNI-5578df48-11
0.382
SID-ELM-2583a2cd-22
0.382
WIL-UNI-5578df48-12
0.382
SID-ELM-b654bfa2-3
0.373
WIL-UNI-5578df48-9
0.370
MAK-UNK-129dcd6f-15
0.370
SID-ELM-2583a2cd-7
0.366
MAK-UNK-129dcd6f-8
0.366
WIL-UNI-5578df48-13
0.353
MAK-UNK-129dcd6f-1
0.353
SID-ELM-8b394441-10
0.350
SID-ELM-b654bfa2-17
0.350
PET-SGC-0f1d26ed-1
0.350
MAK-UNK-129dcd6f-17
0.349
MAK-UNK-30aad1f1-15
0.349
MAK-UNK-129dcd6f-18
0.349
NIC-UNI-0cb6411b-1
0.348
SID-ELM-2583a2cd-14
0.346
PET-SGC-0f1d26ed-2
0.346
MAK-UNK-129dcd6f-7
0.345
WAR-XCH-b0339bbe-9
0.344
SID-ELM-8b394441-14
0.338
MAK-UNK-30aad1f1-4
0.333
SID-ELM-b654bfa2-18
0.333
MAK-UNK-30aad1f1-16
0.333
SID-ELM-b654bfa2-22
0.329
SID-ELM-8b394441-8
0.329
MAK-UNK-129dcd6f-16
0.326
MAK-UNK-30aad1f1-17
0.325
DAR-DIA-03336633-1
0.323
HAN-NEW-5f56c3bc-3
0.323
SID-ELM-b654bfa2-7
0.321
SID-ELM-8b394441-15
0.321
CHR-SOS-363cfb78-3
0.318
MAK-UNK-30aad1f1-9
0.318
DAR-DIA-03336633-11
0.315
MAK-UNK-37f1d6fa-4
0.314
MAK-UNK-30aad1f1-3
0.310
MAK-UNK-30aad1f1-2
0.310
SID-ELM-b654bfa2-6
0.309
JIA-UNI-12b1f9ae-1
0.309
MAX-MCD-16e3709a-1
0.308
MAK-UNK-de8f6d00-6
0.308
SAD-SAT-689b7d5a-5
0.306
SID-ELM-8b394441-12
0.301
SID-ELM-b654bfa2-4
0.301
SID-ELM-8b394441-9
0.301
MAK-UNK-37f1d6fa-2
0.299
MAR-TRE-9d18ae8c-52
0.299
TAM-UNI-c140e31a-19
0.296
BAR-COM-5694a99d-5
0.295
MAK-UNK-ae34c249-4
0.295
ROD-LAS-d5538ff9-9
0.294
GIA-UNK-3f36037a-7
0.294
MAK-UNK-d1e89583-4
0.289
SID-ELM-8b394441-11
0.289
SID-ELM-b654bfa2-5
0.289
BAR-COM-5694a99d-4
0.287
SAD-SAT-689b7d5a-1
0.287
MAK-UNK-37f1d6fa-3
0.287
MAK-UNK-d1e89583-2
0.286
MAK-UNK-de8f6d00-8
0.284
MAR-TRE-e86a56b5-66
0.282
MAK-UNK-de8f6d00-1
0.282
WIL-UNI-5578df48-15
0.280
BRU-UNI-418e22dc-2
0.280
DAR-DIA-23aa0b97-15
0.280
WES-WAB-6f418dc2-1
0.278
MAK-UNK-129dcd6f-4
0.278
DAR-DIA-fc970077-9
0.276
ANN-UNI-26382800-3
0.276
WIL-UNI-5578df48-6
0.276
TAT-ENA-80bfd3e5-23
0.276
JOH-UNK-14e6adc5-2
0.276
MAK-UNK-de8f6d00-7
0.276
HUB-UNK-9845d277-3
0.276