Molecular Properties | |
SMILES: | N=C(N)NCCc1ccc(NC(=O)Nc2cccnc2)cc1 |
MW: | 298.15 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 5 |
Rotatable Bonds: | 5 |
TPSA: | 115.92 |
cLogP: | 1.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
Imine 3
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-15
0.582
WIL-UNI-5578df48-17
0.534
WIL-UNI-5578df48-37
0.525
AAR-POS-d2a4d1df-11
0.517
JOH-UNK-14e6adc5-2
0.508
ANN-UNI-26382800-3
0.508
WIL-UNI-5578df48-18
0.507
WIL-UNI-5578df48-16
0.487
MAK-UNK-d1e89583-1
0.470
MAK-UNK-129dcd6f-3
0.461
MAK-UNK-30aad1f1-7
0.457
DAR-DIA-23aa0b97-15
0.448
ALE-HEI-f28a35b5-15
0.446
DAR-DIA-842b4336-1
0.439
MAK-UNK-10dfa458-16
0.436
MAK-UNK-d1e89583-7
0.435
WAR-XCH-eb7b662f-3
0.433
WIL-UNI-5578df48-28
0.429
ALE-HEI-f28a35b5-4
0.429
MAK-UNK-d1e89583-8
0.427
DAR-DIA-842b4336-2
0.426
MAK-UNK-10dfa458-31
0.425
BAR-COM-21d20d65-9
0.425
SAD-SAT-135344c3-10
0.425
BAR-COM-21d20d65-8
0.425
DAR-DIA-842b4336-4
0.420
JAN-GHE-83b26c96-19
0.420
JOR-UNI-2fc98d0b-7
0.420
WAR-XCH-eb7b662f-7
0.420
WAR-XCH-eb7b662f-6
0.420
DAR-DIA-23aa0b97-14
0.420
MAK-UNK-ca11b4f7-1
0.419
MAK-UNK-129dcd6f-12
0.418
MAK-UNK-30aad1f1-12
0.418
MAK-UNK-37f1d6fa-7
0.415
MAR-TRE-67513f76-81
0.410
MAK-UNK-ae34c249-7
0.409
ALE-MCD-4ac17b19-1
0.407
BAR-COM-21d20d65-4
0.407
SAD-SAT-689b7d5a-6
0.405
CHA-MCP-85291e1d-1
0.405
WIL-UNI-5578df48-21
0.403
WAR-XCH-eb7b662f-4
0.403
CHR-SOS-363cfb78-1
0.403
SAD-SAT-689b7d5a-3
0.400
DAR-DIA-842b4336-3
0.400
MAK-UNK-a7b37c5e-5
0.400
WIL-UNI-5578df48-23
0.398
WAR-XCH-eb7b662f-5
0.397
ANN-UNI-26382800-4
0.397
DAR-DIA-23aa0b97-5
0.397
WAR-XCH-eb7b662f-1
0.397
JOR-UNI-61e7b1d5-2
0.397
JOH-IMS-62aeb97d-5
0.397
MAK-UNK-d1e89583-4
0.394
BAR-COM-21d20d65-2
0.393
SAD-SAT-f25ee457-8
0.392
MAR-TRE-7f7bb9f0-74
0.392
DAR-DIA-842b4336-9
0.392
WIL-UNI-5578df48-24
0.390
MAK-UNK-d1e89583-2
0.389
BAR-COM-21d20d65-1
0.388
WIL-UNI-5578df48-26
0.388
DAR-DIA-842b4336-6
0.387
SAD-SAT-cefd50cc-1
0.387
MAK-UNK-a7b37c5e-4
0.386
BAR-COM-21d20d65-5
0.386
DAR-DIA-842b4336-5
0.384
DAR-DIA-842b4336-7
0.384
DAR-DIA-842b4336-8
0.384
MAK-UNK-d1e89583-3
0.382
WAR-XCH-eb7b662f-2
0.382
WIL-UNI-5578df48-22
0.382
BAR-COM-21d20d65-3
0.381
BAR-COM-21d20d65-6
0.381
IAN-BAS-df1706d7-1
0.380
BAR-COM-5694a99d-4
0.378
SAN-PRS-52b81272-2
0.377
TAM-UNI-c140e31a-19
0.377
ALE-HEI-f28a35b5-8
0.375
WIL-UNI-5578df48-31
0.375
ASH-UNK-40b46b30-7
0.374
BAR-COM-5694a99d-2
0.373
MAK-UNK-129dcd6f-2
0.373
MAR-TRE-7f7bb9f0-49
0.373
WIL-UNI-5578df48-27
0.372
BAR-COM-21d20d65-7
0.372
JIA-UNI-12b1f9ae-1
0.372
MAR-TRE-7f7bb9f0-90
0.372
SAD-SAT-24589cd1-4
0.371
SAD-SAT-689b7d5a-1
0.371
MAK-UNK-d1e89583-5
0.368
MAK-UNK-d1e89583-6
0.368
MAR-TRE-7f7bb9f0-56
0.368
WIL-UNI-5578df48-19
0.367
WIL-UNI-5578df48-32
0.367
WIL-UNI-5578df48-20
0.366
EDG-MED-0da5ad92-2
0.365
DAR-DIA-842b4336-11
0.365
FRA-FAC-9ed5a63a-3
0.365