Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(c1ccccc1)c1ccccc1 |
MW: | 289.12 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 45.23 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1363149320 |
MolPort: | MolPort-002-099-908 |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-1
0.800
EMI-TUK-a58865cc-3
0.696
WIL-UNI-5578df48-6
0.680
EMI-TUK-a58865cc-2
0.661
MAK-UNK-f0bfc2e0-1
0.661
EMI-TUK-a58865cc-1
0.650
WIL-UNI-5578df48-3
0.559
WIL-UNI-5578df48-4
0.550
BEN-BAS-3b12fa42-1
0.542
EMI-TUK-a58865cc-5
0.541
AAR-POS-d2a4d1df-11
0.540
ASH-UNK-40b46b30-3
0.532
EMI-TUK-a58865cc-7
0.524
WIL-UNI-5578df48-7
0.517
EMI-TUK-a58865cc-6
0.516
ASH-UNK-40b46b30-9
0.516
EMI-TUK-a58865cc-4
0.508
WIL-UNI-5578df48-5
0.492
KEI-TRE-d5e2018a-81
0.484
DAR-DIA-fc970077-9
0.474
SAN-PRS-52b81272-2
0.473
SAN-PRS-52b81272-3
0.473
MAR-TRE-67513f76-81
0.469
DAR-DIA-fc970077-14
0.460
MAK-UNK-ca11b4f7-2
0.460
MAK-UNK-ca11b4f7-3
0.460
ERI-UCB-ce40166b-23
0.458
JOH-IMS-62aeb97d-5
0.451
MAK-UNK-ca11b4f7-1
0.451
ASH-UNK-40b46b30-1
0.451
AUS-ARG-7cfdce8f-11
0.448
WIL-UNI-5578df48-33
0.440
CHR-SOS-f7373dd1-4
0.438
DAR-DIA-23aa0b97-15
0.431
JOR-UNI-2fc98d0b-2
0.429
JOR-UNI-2fc98d0b-8
0.429
WIL-UNI-5578df48-8
0.429
ALE-HEI-f28a35b5-15
0.429
BEN-BAS-e0d85f98-1
0.427
CHR-SOS-f7373dd1-1
0.424
CHR-SOS-70e4c98a-6
0.422
DAR-DIA-842b4336-1
0.421
WAR-XCH-eb7b662f-3
0.414
SAD-SAT-24589cd1-4
0.414
CHR-SOS-70e4c98a-8
0.409
MAR-TRE-04c86cea-97
0.409
SAD-SAT-689b7d5a-4
0.409
DAR-DIA-842b4336-2
0.407
MAK-UNK-d1e89583-1
0.407
MAK-UNK-a7b37c5e-4
0.407
JOR-UNI-61e7b1d5-7
0.405
JOR-UNI-61e7b1d5-9
0.405
IAN-BAS-0ac8c25d-1
0.405
ALE-HEI-f28a35b5-14
0.404
DAR-DIA-23aa0b97-14
0.400
WAR-XCH-eb7b662f-6
0.400
ANN-UNI-26382800-3
0.400
SWA-SYN-59528602-3
0.400
JAN-GHE-83b26c96-19
0.400
JOR-UNI-2fc98d0b-7
0.400
WAR-XCH-eb7b662f-7
0.400
DAR-DIA-842b4336-4
0.400
JOH-UNK-14e6adc5-2
0.400
DAR-DIA-842b4336-3
0.400
CHR-SOS-70e4c98a-3
0.397
ADA-UNI-f8e79267-4
0.397
MAK-UNK-a7b37c5e-2
0.397
JOR-UNI-2fc98d0b-16
0.395
KEI-TRE-d5e2018a-71
0.395
MAR-TRE-74c6519b-47
0.394
MAK-UNK-d1e89583-9
0.394
ALE-HEI-f28a35b5-8
0.393
MAK-UNK-d1e89583-7
0.393
MAK-UNK-d1e89583-4
0.393
JOR-UNI-2fc98d0b-14
0.392
DAR-DIA-842b4336-9
0.391
CHR-SOS-f7373dd1-5
0.391
JOR-UNI-2fc98d0b-12
0.390
ADA-UNI-f8e79267-5
0.388
DAR-DIA-23aa0b97-16
0.387
MAK-UNK-d1e89583-2
0.387
JOH-IMS-62aeb97d-2
0.387
MAK-UNK-a7b37c5e-1
0.387
ALE-HEI-f28a35b5-4
0.387
CHR-SOS-7098f804-18
0.386
CHR-SOS-70e4c98a-1
0.386
JOR-UNI-2fc98d0b-1
0.385
JOR-UNI-2fc98d0b-4
0.385
JOR-UNI-2fc98d0b-3
0.385
JOR-UNI-2fc98d0b-5
0.385
JOR-UNI-2fc98d0b-17
0.385
MAR-TRE-f6f5f473-78
0.385
SAD-SAT-689b7d5a-9
0.385
JOR-UNI-2fc98d0b-11
0.385
SAD-SAT-cefd50cc-1
0.385
MAR-TRE-2fd8122f-27
0.383
CHR-SOS-59746812-1
0.382
ADA-UNI-f8e79267-6
0.382
CHR-SOS-7098f804-14
0.382
WAR-XCH-eb7b662f-4
0.381