Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(Cc1ccccc1)c1ccccc1 |
MW: | 303.14 |
Fraction sp3: | 0.05 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | FCH13488738 |
MolPort: | MolPort-037-598-484 |
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-8
0.672
EMI-TUK-a58865cc-5
0.582
EMI-TUK-a58865cc-6
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ASH-UNK-40b46b30-3
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EMI-TUK-a58865cc-7
0.565
WIL-UNI-5578df48-2
0.559
EMI-TUK-a58865cc-4
0.549
ERI-UCB-ce40166b-23
0.519
WIL-UNI-5578df48-4
0.479
WIL-UNI-5578df48-1
0.478
SAN-PRS-52b81272-2
0.476
EMI-TUK-a58865cc-3
0.446
EMI-TUK-a58865cc-1
0.442
AAR-POS-d2a4d1df-11
0.435
ASH-UNK-40b46b30-9
0.434
WIL-UNI-5578df48-6
0.433
DAR-DIA-fc970077-9
0.433
SAN-PRS-52b81272-3
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KAY-MCD-59dc2eb3-1
0.430
MAK-UNK-f0bfc2e0-1
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EMI-TUK-a58865cc-2
0.429
KEI-TRE-d5e2018a-81
0.427
MAR-TRE-04c86cea-97
0.419
JOR-UNI-2fc98d0b-8
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JOR-UNI-2fc98d0b-2
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MAR-TRE-74c6519b-47
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KEI-TRE-d5e2018a-71
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EDG-MED-0da5ad92-20
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MAR-TRE-67513f76-81
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JOR-UNI-61e7b1d5-7
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JOR-UNI-2fc98d0b-1
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JOR-UNI-2fc98d0b-3
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JOR-UNI-2fc98d0b-5
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CHR-SOS-59746812-1
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SIM-SYN-a98e6a07-2
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AUS-ARG-7cfdce8f-11
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CHR-SOS-59746812-5
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JOR-UNI-2fc98d0b-16
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MAK-UNK-ca11b4f7-1
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JOH-IMS-62aeb97d-5
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JOR-UNI-2fc98d0b-6
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JOR-UNI-2fc98d0b-13
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JOR-UNI-2fc98d0b-12
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MAK-UNK-b2c98f02-7
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JOR-UNI-2fc98d0b-4
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JOR-UNI-2fc98d0b-17
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JOR-UNI-2fc98d0b-11
0.379
JOR-UNI-61e7b1d5-3
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JOR-UNI-61e7b1d5-5
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JOR-UNI-61e7b1d5-14
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MAK-UNK-a7b37c5e-4
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JOR-UNI-61e7b1d5-20
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CHR-SOS-70e4c98a-6
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WIL-UNI-5578df48-7
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ADA-UNI-f8e79267-4
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MAK-UNK-ca11b4f7-3
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MAK-UNK-ca11b4f7-2
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JOR-UNI-2fc98d0b-10
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JOR-UNI-61e7b1d5-18
0.371
NAU-LAT-445f63e5-6
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MAK-UNK-a7b37c5e-2
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JOR-UNI-61e7b1d5-16
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JOR-UNI-61e7b1d5-22
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JOR-UNI-61e7b1d5-24
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MAK-UNK-009ebe36-8
0.369
DAR-DIA-fc970077-14
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CHR-SOS-f7373dd1-4
0.368
MAC-MCD-76766525-1
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JOR-UNI-61e7b1d5-12
0.367
BEN-BAS-3b12fa42-1
0.367
NAU-LAT-445f63e5-1
0.366
WJF-WAB-092bbb97-1
0.365
ADA-UNI-f8e79267-5
0.364
CHR-SOS-70e4c98a-8
0.364
MIC-UNK-bcd487e9-1
0.364
JOR-UNI-61e7b1d5-28
0.363
JOR-UNI-2fc98d0b-15
0.363
JOR-UNI-61e7b1d5-30
0.363
JOH-IMS-62aeb97d-1
0.361
DRE-WAB-9b73098a-1
0.361
ALP-POS-bad7201a-10
0.360
MAK-UNK-b2c98f02-5
0.360
MAK-UNK-b2c98f02-9
0.360
WIL-UNI-5578df48-5
0.359
MIC-SGC-657978c3-7
0.359
CHR-SOS-f7373dd1-1
0.359
JOR-UNI-61e7b1d5-26
0.359
UNK-UNK-2ede4078-14
0.358
ADA-UNI-f8e79267-2
0.358
JOR-UNI-2fc98d0b-9
0.358
MAK-UNK-d1e89583-1
0.357
MAK-UNK-b2c98f02-6
0.356
EDG-MED-0da5ad92-2
0.356
MED-UNK-e6e8ef8a-5
0.356
MAR-TRE-d0525fbf-91
0.355
PET-SGC-d0156db4-1
0.354