Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)N(c1cccnc1)c1ccccn1 |
MW: | 290.326 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 58.12 |
cLogP: | 3.8468 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-6
0.627
WIL-UNI-5578df48-7
0.561
WIL-UNI-5578df48-5
0.536
DAR-DIA-fc970077-9
0.500
WIL-UNI-5578df48-2
0.460
WIL-UNI-5578df48-8
0.457
AAR-POS-d2a4d1df-11
0.435
SIM-SYN-a98e6a07-2
0.410
WIL-UNI-5578df48-1
0.397
MAK-UNK-f0bfc2e0-1
0.392
EMI-TUK-a58865cc-3
0.372
WIL-UNI-5578df48-3
0.368
BEN-DND-031a96cc-8
0.362
MED-UNK-55e26634-1
0.361
EMI-TUK-a58865cc-2
0.358
EMI-TUK-a58865cc-1
0.354
IAN-BAS-5ff43d1c-1
0.353
SIM-SYN-a98e6a07-1
0.352
SAN-PRS-52b81272-2
0.348
MED-UNK-40f14d64-1
0.347
WIL-UNI-5578df48-4
0.346
MIC-SGC-657978c3-5
0.346
EMI-TUK-a58865cc-5
0.342
MIC-SGC-657978c3-7
0.342
SID-ELM-8b394441-1
0.338
ASH-UNK-40b46b30-3
0.338
EMI-TUK-a58865cc-7
0.333
ALE-HEI-f28a35b5-15
0.333
JAC-SHE-fc18d444-1
0.333
SWA-SYN-59528602-3
0.333
WIL-UNI-5578df48-39
0.330
ASH-UNK-40b46b30-9
0.329
EMI-TUK-a58865cc-6
0.329
SID-ELM-2583a2cd-20
0.329
MED-UNK-cd1acb4a-1
0.327
EMI-TUK-a58865cc-4
0.325
SWA-SYN-59528602-2
0.325
BRU-LEF-e1854a6f-1
0.323
SID-ELM-8b394441-3
0.319
GIA-UNK-3f36037a-7
0.318
SID-ELM-2583a2cd-22
0.316
SID-ELM-2583a2cd-7
0.315
ALE-HEI-f28a35b5-1
0.315
TRY-UNI-714a760b-4
0.315
ERI-UCB-ce40166b-23
0.315
SAD-SAT-689b7d5a-4
0.312
MIC-SGC-657978c3-6
0.312
WIL-UNI-5578df48-10
0.312
DAR-DIA-842b4336-9
0.312
BEN-DND-031a96cc-2
0.310
SID-ELM-2583a2cd-5
0.310
SAN-PRS-52b81272-3
0.310
BEN-BAS-3b12fa42-1
0.309
SID-ELM-b654bfa2-3
0.308
MIC-SGC-657978c3-8
0.308
DRE-WAB-9b73098a-1
0.307
SID-ELM-2583a2cd-6
0.306
SID-ELM-b654bfa2-4
0.305
SID-ELM-8b394441-9
0.305
KEI-TRE-d5e2018a-81
0.305
IAN-BAS-a5a0ad12-1
0.304
CHR-SOS-70e4c98a-6
0.304
MAK-UNK-d1e89583-1
0.301
MAR-TRE-b77b7921-58
0.301
WIL-UNI-5578df48-12
0.300
SID-ELM-2583a2cd-11
0.300
SID-ELM-2583a2cd-14
0.300
BEN-DND-031a96cc-3
0.299
ANN-UNI-26382800-3
0.297
TAT-ENA-80bfd3e5-23
0.297
JOH-UNK-14e6adc5-2
0.297
AUS-ARG-7cfdce8f-11
0.297
SID-ELM-b654bfa2-19
0.296
MAK-UNK-129dcd6f-1
0.295
MAK-UNK-129dcd6f-6
0.295
IAN-BAS-0ac8c25d-1
0.295
BEN-BAS-e0d85f98-1
0.293
ALE-HEI-f28a35b5-8
0.293
HAN-NEW-5f56c3bc-1
0.293
MAK-UNK-d1e89583-7
0.293
MAR-TRE-67513f76-81
0.292
CHR-SOS-363cfb78-3
0.292
MAK-UNK-129dcd6f-18
0.292
ASH-UNK-40b46b30-1
0.292
DAR-DIA-842b4336-1
0.292
MAK-UNK-d1e89583-6
0.291
NAU-LAT-445f63e5-6
0.291
RAL-MED-9a5eb9cb-9
0.290
ADA-UNI-f8e79267-4
0.289
IAN-BAS-df1706d7-1
0.289
MAK-UNK-ca11b4f7-2
0.288
MAK-UNK-ca11b4f7-3
0.288
WAR-XCH-eb7b662f-3
0.288
SAD-SAT-24589cd1-4
0.288
SID-ELM-8b394441-7
0.287
MIC-SGC-657978c3-3
0.287
DAR-DIA-842b4336-7
0.286
MIC-SGC-657978c3-1
0.286
BEN-BAS-589c65df-1
0.284
CHR-SOS-f7373dd1-4
0.284