Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)N(c1ccccc1)c1cccnc1 |
MW: | 289.12 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-7
0.759
WIL-UNI-5578df48-5
0.719
WIL-UNI-5578df48-2
0.680
DAR-DIA-fc970077-14
0.627
DAR-DIA-fc970077-9
0.571
WIL-UNI-5578df48-1
0.567
MAK-UNK-f0bfc2e0-1
0.545
EMI-TUK-a58865cc-3
0.523
WIL-UNI-5578df48-8
0.516
EMI-TUK-a58865cc-2
0.500
AAR-POS-d2a4d1df-11
0.500
EMI-TUK-a58865cc-1
0.493
SIM-SYN-a98e6a07-2
0.457
WIL-UNI-5578df48-3
0.433
BEN-BAS-3b12fa42-1
0.420
WIL-UNI-5578df48-39
0.412
BEN-DND-031a96cc-8
0.410
WIL-UNI-5578df48-4
0.406
JAC-SHE-fc18d444-1
0.405
SIM-SYN-a98e6a07-1
0.402
EMI-TUK-a58865cc-5
0.400
ASH-UNK-40b46b30-3
0.394
EMI-TUK-a58865cc-7
0.389
IAN-BAS-0ac8c25d-1
0.386
ASH-UNK-40b46b30-9
0.384
EMI-TUK-a58865cc-6
0.384
EMI-TUK-a58865cc-4
0.378
KEI-TRE-d5e2018a-81
0.375
SAN-PRS-52b81272-2
0.371
MIC-SGC-657978c3-5
0.365
DRE-WAB-9b73098a-1
0.364
MED-UNK-40f14d64-1
0.363
ERI-UCB-ce40166b-23
0.362
MIC-SGC-657978c3-7
0.361
SAM-UNK-2684b532-2
0.355
MED-UNK-cd1acb4a-1
0.355
IAN-BAS-5ff43d1c-1
0.354
SID-ELM-2583a2cd-7
0.354
SWA-SYN-59528602-3
0.354
TRY-UNI-714a760b-4
0.354
ALE-HEI-f28a35b5-1
0.354
TAT-ENA-80bfd3e5-23
0.354
SID-ELM-2583a2cd-22
0.352
SAN-PRS-52b81272-3
0.349
MED-UNK-55e26634-1
0.348
WIL-UNI-5578df48-10
0.348
SAD-SAT-689b7d5a-4
0.347
MIC-SGC-657978c3-6
0.347
SID-ELM-2583a2cd-6
0.344
MIC-SGC-657978c3-8
0.343
GIA-UNK-3f36037a-7
0.339
SID-ELM-8b394441-1
0.338
DAR-DIA-23aa0b97-15
0.338
MAK-UNK-d1e89583-1
0.338
WIL-UNI-5578df48-34
0.338
ASH-UNK-40b46b30-1
0.338
JOH-UNK-14e6adc5-2
0.333
ANN-UNI-26382800-3
0.333
CHR-SOS-f7373dd1-4
0.333
AUS-ARG-7cfdce8f-11
0.333
ALE-HEI-f28a35b5-15
0.333
WIL-UNI-5578df48-12
0.333
WIL-UNI-5578df48-33
0.333
MAR-TRE-67513f76-81
0.333
SID-ELM-2583a2cd-20
0.329
MAK-UNK-d1e89583-8
0.329
DAR-DIA-842b4336-9
0.329
MAK-UNK-129dcd6f-6
0.329
SID-ELM-2583a2cd-5
0.328
DAR-DIA-842b4336-1
0.328
MAK-UNK-ca11b4f7-2
0.328
MAK-UNK-ca11b4f7-3
0.328
KEI-TRE-d5e2018a-71
0.325
BEN-DND-031a96cc-2
0.325
CHR-SOS-f7373dd1-1
0.324
SWA-SYN-59528602-2
0.324
MAK-UNK-a7b37c5e-1
0.324
WAR-XCH-eb7b662f-3
0.323
SAD-SAT-24589cd1-4
0.323
JOH-IMS-62aeb97d-5
0.322
MAK-UNK-ca11b4f7-1
0.322
BEN-BAS-e0d85f98-1
0.321
CHR-SOS-70e4c98a-6
0.319
DAR-DIA-842b4336-7
0.319
DAR-DIA-842b4336-8
0.319
SID-ELM-8b394441-3
0.318
DAR-DIA-842b4336-2
0.318
RAL-MED-9a5eb9cb-9
0.318
JOR-UNI-2fc98d0b-2
0.316
JOR-UNI-2fc98d0b-8
0.316
MIC-SGC-657978c3-1
0.316
SID-ELM-2583a2cd-11
0.315
SID-ELM-2583a2cd-14
0.315
WIL-UNI-5578df48-15
0.315
MAK-UNK-d1e89583-9
0.315
WIL-UNI-5578df48-11
0.315
MAK-UNK-a7b37c5e-2
0.314
DAR-DIA-842b4336-4
0.313
WAR-XCH-eb7b662f-7
0.313
JAN-GHE-83b26c96-19
0.313