Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cncc2nccn12 |
MW: | 253.265 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.32 |
cLogP: | 2.3733 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SID-ELM-b654bfa2-6
0.522
SID-ELM-8b394441-12
0.507
SID-ELM-2583a2cd-2
0.440
AAR-POS-d2a4d1df-11
0.413
SID-ELM-2583a2cd-6
0.403
SID-ELM-2583a2cd-7
0.391
TRY-UNI-714a760b-4
0.391
ALE-HEI-f28a35b5-1
0.391
SID-ELM-2583a2cd-5
0.388
HAN-NEW-5f56c3bc-1
0.386
SID-ELM-2583a2cd-11
0.368
SID-ELM-2583a2cd-20
0.364
TRY-UNI-714a760b-8
0.361
SID-ELM-8b394441-1
0.357
SID-ELM-8b394441-3
0.357
SID-ELM-2583a2cd-22
0.351
SID-ELM-2583a2cd-17
0.351
SID-ELM-b654bfa2-2
0.347
SID-ELM-8b394441-6
0.347
WIL-UNI-5578df48-10
0.347
MAK-UNK-129dcd6f-6
0.347
SID-ELM-2583a2cd-9
0.346
ROD-LAS-d5538ff9-9
0.346
SID-ELM-b654bfa2-3
0.342
SID-ELM-b654bfa2-7
0.342
SID-ELM-8b394441-5
0.338
SID-ELM-8b394441-7
0.338
MAK-UNK-129dcd6f-17
0.337
MAK-UNK-129dcd6f-18
0.337
SID-ELM-b654bfa2-1
0.333
MAX-MCD-16e3709a-1
0.333
WIL-UNI-5578df48-11
0.333
WIL-UNI-5578df48-12
0.333
SID-ELM-2583a2cd-10
0.333
SID-ELM-2583a2cd-8
0.333
MAK-UNK-129dcd6f-16
0.329
SID-ELM-8b394441-13
0.329
SID-ELM-b654bfa2-19
0.329
MAK-UNK-129dcd6f-15
0.325
SID-ELM-b654bfa2-5
0.325
SID-ELM-8b394441-14
0.325
SID-ELM-8b394441-11
0.325
SID-ELM-8b394441-15
0.325
MAK-UNK-30aad1f1-16
0.321
MAK-UNK-129dcd6f-8
0.321
SID-ELM-b654bfa2-4
0.321
SID-ELM-b654bfa2-18
0.321
PET-SGC-0f1d26ed-1
0.321
SID-ELM-8b394441-9
0.321
GIA-UNK-3f36037a-7
0.318
MAK-UNK-129dcd6f-7
0.318
SID-ELM-b654bfa2-22
0.317
SID-ELM-8b394441-8
0.317
PET-SGC-0f1d26ed-2
0.316
WIL-UNI-5578df48-6
0.315
DAR-DIA-fc970077-9
0.315
MAK-UNK-30aad1f1-3
0.314
MAK-UNK-30aad1f1-17
0.312
WIL-UNI-5578df48-13
0.310
MAK-UNK-129dcd6f-1
0.310
WIL-UNI-5578df48-9
0.310
MAK-UNK-30aad1f1-15
0.307
EDJ-MED-6e43a462-5
0.306
SID-ELM-b654bfa2-17
0.305
SID-ELM-8b394441-10
0.305
MAR-TRE-9d18ae8c-52
0.302
DAR-DIA-fc970077-14
0.300
MAK-UNK-30aad1f1-2
0.299
HAN-NEW-5f56c3bc-3
0.298
DAR-DIA-03336633-1
0.298
TAT-ENA-80bfd3e5-23
0.297
MAK-UNK-30aad1f1-4
0.293
MAK-UNK-30aad1f1-9
0.292
WAR-XCH-b0339bbe-9
0.292
MAK-UNK-de8f6d00-7
0.291
DAR-DIA-03336633-11
0.290
BEN-DND-031a96cc-8
0.288
WIL-UNI-5578df48-7
0.287
AAR-UNI-c25c2f1e-40
0.284
WES-WAB-6f418dc2-1
0.281
AAR-UNI-c25c2f1e-65
0.280
DAR-DIA-23aa0b97-20
0.278
DAR-DIA-03336633-15
0.278
WIL-UNI-5578df48-2
0.278
WIL-UNI-5578df48-5
0.277
AAR-UNI-c25c2f1e-31
0.277
AAR-UNI-c25c2f1e-45
0.277
WIL-UNI-5578df48-8
0.275
MAK-UNK-de8f6d00-8
0.275
WAR-XCH-79d12f6e-10
0.274
WAR-XCH-b0339bbe-20
0.274
MAK-UNK-de8f6d00-6
0.274
WAR-XCH-79d12f6e-3
0.270
MAK-UNK-ae34c249-3
0.270
SAD-SAT-6b5a89f0-8
0.270
WAR-XCH-79d12f6e-1
0.269
WAR-XCH-b0339bbe-12
0.269
WES-WAB-2b40d25a-1
0.269
AAR-POS-0daf6b7e-44
0.268
BEN-DND-02317c5c-1
0.267