Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)Nc1cncn2nccc12 |
MW: | 253.265 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.32 |
cLogP: | 2.3733 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TRY-UNI-714a760b-4
0.477
ALE-HEI-f28a35b5-1
0.477
SID-ELM-8b394441-11
0.472
SID-ELM-b654bfa2-5
0.472
SID-ELM-2583a2cd-4
0.467
AAR-POS-d2a4d1df-11
0.459
MAK-UNK-129dcd6f-6
0.443
WIL-UNI-5578df48-10
0.443
TRY-UNI-714a760b-8
0.441
HAN-NEW-5f56c3bc-1
0.426
WIL-UNI-5578df48-11
0.425
WIL-UNI-5578df48-12
0.425
EDJ-MED-51d3200d-3
0.419
SID-ELM-8b394441-1
0.418
SID-ELM-2583a2cd-11
0.405
SID-ELM-2583a2cd-20
0.400
SID-ELM-8b394441-3
0.397
SID-ELM-8b394441-5
0.394
WIL-UNI-5578df48-9
0.392
MAK-UNK-129dcd6f-15
0.392
MAK-UNK-129dcd6f-1
0.390
SID-ELM-b654bfa2-1
0.389
SID-ELM-2583a2cd-5
0.388
SID-ELM-2583a2cd-10
0.387
SID-ELM-2583a2cd-17
0.387
SID-ELM-2583a2cd-8
0.387
SID-ELM-2583a2cd-9
0.382
WIL-UNI-5578df48-13
0.373
MAR-UCB-fd2e172f-36
0.372
MAK-UNK-129dcd6f-8
0.370
MAK-UNK-30aad1f1-15
0.369
MAK-UNK-129dcd6f-18
0.369
SID-ELM-b654bfa2-2
0.365
SID-ELM-8b394441-6
0.365
DAR-DIA-03336633-11
0.364
SID-ELM-2583a2cd-6
0.362
MAK-UNK-129dcd6f-16
0.361
SID-ELM-b654bfa2-3
0.360
SID-ELM-8b394441-7
0.355
MAK-UNK-129dcd6f-17
0.354
MAK-UNK-30aad1f1-4
0.352
SID-ELM-2583a2cd-7
0.352
WIL-UNI-5578df48-6
0.352
SID-ELM-2583a2cd-14
0.351
MAK-UNK-129dcd6f-7
0.349
WAR-XCH-b0339bbe-9
0.348
SID-ELM-8b394441-15
0.342
DAR-DIA-03336633-1
0.341
HAN-NEW-5f56c3bc-3
0.341
PET-SGC-0f1d26ed-1
0.338
MAK-UNK-30aad1f1-9
0.337
MAK-UNK-de8f6d00-6
0.337
PET-SGC-0f1d26ed-2
0.333
JIA-UNI-12b1f9ae-1
0.329
SID-ELM-b654bfa2-6
0.329
MAK-UNK-d1e89583-4
0.329
SAD-SAT-689b7d5a-5
0.325
BEN-DND-031a96cc-8
0.324
MAK-UNK-ae34c249-4
0.324
CHR-SOS-363cfb78-3
0.322
SID-ELM-8b394441-12
0.321
WIL-UNI-5578df48-7
0.321
MAK-UNK-d1e89583-1
0.319
SID-ELM-b654bfa2-22
0.317
SID-ELM-8b394441-8
0.317
DAR-DIA-fc970077-14
0.316
DAR-DIA-fc970077-9
0.315
ROD-LAS-d5538ff9-9
0.313
MAX-MCD-16e3709a-1
0.312
SAD-SAT-689b7d5a-4
0.312
ANU-UNK-2781581f-3
0.310
HUB-UNK-9845d277-3
0.310
WIL-UNI-5578df48-5
0.309
SID-ELM-b654bfa2-7
0.309
MAK-UNK-d1e89583-2
0.307
MAK-UNK-129dcd6f-5
0.306
BAR-COM-5694a99d-4
0.306
MAK-UNK-30aad1f1-16
0.306
SID-ELM-b654bfa2-4
0.305
SID-ELM-8b394441-9
0.305
MAK-UNK-37f1d6fa-4
0.304
LON-WEI-4d77710c-22
0.303
LON-WEI-5e7d1b3e-22
0.303
DAR-DIA-842b4336-2
0.301
BEN-DND-031a96cc-3
0.299
BAR-COM-5694a99d-1
0.299
GIA-UNK-3f36037a-7
0.299
ANN-UNI-26382800-3
0.297
JOH-UNK-14e6adc5-2
0.297
MAK-UNK-de8f6d00-1
0.297
MAK-UNK-30aad1f1-17
0.296
SID-ELM-b654bfa2-19
0.296
SID-ELM-8b394441-13
0.296
ANU-UNK-2781581f-2
0.295
WIL-UNI-5578df48-20
0.294
MAK-UNK-129dcd6f-12
0.294
NIC-UNI-0cb6411b-1
0.293
SID-ELM-8b394441-14
0.293
RED-SAT-26a928c9-1
0.292
ANU-UNK-2781581f-1
0.292