Molecular Properties | |
SMILES: | N=C(N)CCCN(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 297.362 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 95.1 |
cLogP: | 2.83627 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Long aliphatic chain
EMI-TUK-a58865cc-5
0.803
EMI-TUK-a58865cc-4
0.676
EMI-TUK-a58865cc-6
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WIL-UNI-5578df48-3
0.565
ASH-UNK-40b46b30-3
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JOR-UNI-2fc98d0b-2
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WIL-UNI-5578df48-2
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JOR-UNI-61e7b1d5-7
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ERI-UCB-ce40166b-23
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EMI-TUK-a58865cc-1
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WIL-UNI-5578df48-1
0.472
WIL-UNI-5578df48-4
0.453
JOR-UNI-2fc98d0b-8
0.450
JOR-UNI-61e7b1d5-9
0.429
EMI-TUK-a58865cc-2
0.425
EMI-TUK-a58865cc-3
0.423
JOR-UNI-2fc98d0b-10
0.416
JOR-UNI-2fc98d0b-12
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ASH-UNK-40b46b30-9
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KAY-MCD-59dc2eb3-1
0.412
JOR-UNI-61e7b1d5-8
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JOR-UNI-2fc98d0b-17
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JOR-UNI-2fc98d0b-11
0.409
MAK-UNK-f0bfc2e0-1
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KEI-TRE-d5e2018a-81
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JOR-UNI-61e7b1d5-26
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JOR-UNI-61e7b1d5-18
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WJF-WAB-092bbb97-1
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JOR-UNI-2fc98d0b-6
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WIL-UNI-5578df48-8
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JOR-UNI-2fc98d0b-5
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JOR-UNI-2fc98d0b-3
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JOR-UNI-2fc98d0b-4
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JOR-UNI-2fc98d0b-15
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JOR-UNI-61e7b1d5-28
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JOR-UNI-61e7b1d5-30
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WIL-UNI-5578df48-6
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DAR-DIA-fc970077-9
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AAR-POS-d2a4d1df-11
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JOR-UNI-2fc98d0b-16
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SAN-PRS-52b81272-2
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JOR-UNI-2fc98d0b-9
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JOR-UNI-2fc98d0b-14
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JOR-UNI-61e7b1d5-16
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JOR-UNI-61e7b1d5-24
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JOR-UNI-61e7b1d5-12
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BEN-BAS-3b12fa42-1
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JOR-UNI-2fc98d0b-1
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JOR-UNI-61e7b1d5-5
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JOR-UNI-61e7b1d5-14
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MAR-TRE-67513f76-81
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SIM-SYN-a98e6a07-2
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ALE-HEI-f28a35b5-14
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JOR-UNI-61e7b1d5-10
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AUS-ARG-7cfdce8f-11
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JOR-UNI-61e7b1d5-22
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SAN-PRS-52b81272-3
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MAK-UNK-ca11b4f7-1
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JOH-IMS-62aeb97d-5
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MAR-TRE-04c86cea-97
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JOR-UNI-61e7b1d5-3
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SAD-SAT-24589cd1-4
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JOH-IMS-62aeb97d-2
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JOR-UNI-61e7b1d5-20
0.359
KEI-TRE-d5e2018a-71
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MED-UNK-e6e8ef8a-5
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WIL-UNI-5578df48-7
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CHR-SOS-70e4c98a-6
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MAC-MCD-76766525-1
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ADA-UNI-f8e79267-4
0.354
MAK-UNK-a7b37c5e-2
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CHR-SOS-f7373dd1-4
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MAR-TRE-4b834d9a-49
0.349
MAK-UNK-ca11b4f7-3
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MAK-UNK-ca11b4f7-2
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ISA-SCH-8e98219b-1
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CHR-SOS-70e4c98a-8
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ADA-UNI-f8e79267-5
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KEI-TRE-d5e2018a-92
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KEI-TRE-d5e2018a-64
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DRE-WAB-9b73098a-1
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WIL-UNI-5578df48-5
0.341
CHR-SOS-59746812-1
0.341
CHR-SOS-f7373dd1-1
0.341
CHR-SOS-7098f804-14
0.341
KEI-TRE-d5e2018a-87
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MAK-UNK-a7b37c5e-4
0.338
MAR-TRE-2fd8122f-27
0.338
BEN-DND-362d364a-12
0.337
CHR-SOS-70e4c98a-3
0.337
DRE-WAB-ae4a693c-1
0.337
PET-SGC-b0f8bd49-1
0.337
PET-SGC-d0156db4-1
0.337
CHR-SOS-59746812-5
0.337
ADA-UNI-f8e79267-1
0.337
CHR-SOS-7098f804-16
0.337
KEI-TRE-d5e2018a-55
0.337
ASH-UNK-40b46b30-1
0.337
ALE-HEI-f28a35b5-15
0.333