Molecular Properties | |
SMILES: | N=C(N)CCN(C(=O)Nc1cccnc1)c1cccc(Cl)c1 |
MW: | 317.78 |
Fraction sp3: | 0.13 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 95.1 |
cLogP: | 3.09957 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
acyclic C=N-H
Imine 3
Long aliphatic chain
JOR-UNI-2fc98d0b-8
0.714
JOR-UNI-61e7b1d5-7
0.676
ERI-UCB-ce40166b-23
0.667
JOR-UNI-2fc98d0b-12
0.649
JOR-UNI-2fc98d0b-17
0.641
JOR-UNI-2fc98d0b-11
0.641
JOR-UNI-2fc98d0b-6
0.625
JOR-UNI-2fc98d0b-10
0.625
JOR-UNI-2fc98d0b-13
0.625
JOR-UNI-2fc98d0b-15
0.610
JOR-UNI-2fc98d0b-16
0.595
JOR-UNI-2fc98d0b-9
0.593
JOR-UNI-2fc98d0b-1
0.580
JOR-UNI-2fc98d0b-3
0.580
JOR-UNI-2fc98d0b-4
0.580
JOR-UNI-2fc98d0b-5
0.580
JOR-UNI-2fc98d0b-14
0.566
EMI-TUK-a58865cc-7
0.547
EMI-TUK-a58865cc-6
0.481
EMI-TUK-a58865cc-5
0.481
JOR-UNI-61e7b1d5-9
0.476
JOR-UNI-61e7b1d5-8
0.456
EDG-MED-0da5ad92-2
0.446
JOR-UNI-61e7b1d5-18
0.444
EMI-TUK-a58865cc-4
0.439
JOR-UNI-61e7b1d5-30
0.435
JOR-UNI-61e7b1d5-28
0.435
EMI-TUK-a58865cc-1
0.434
KEI-TRE-d5e2018a-16
0.430
JOR-UNI-61e7b1d5-26
0.430
KEI-TRE-d5e2018a-19
0.429
WIL-UNI-5578df48-2
0.429
JOR-UNI-61e7b1d5-16
0.426
JOR-UNI-61e7b1d5-24
0.426
JOR-UNI-2fc98d0b-7
0.425
JAN-GHE-83b26c96-19
0.425
WAR-XCH-eb7b662f-7
0.425
DAR-DIA-23aa0b97-14
0.425
ASH-UNK-40b46b30-3
0.420
CHR-SOS-7098f804-12
0.419
WIL-UNI-5578df48-3
0.418
JOR-UNI-61e7b1d5-10
0.410
JOR-UNI-61e7b1d5-12
0.409
JOR-UNI-61e7b1d5-14
0.404
JOR-UNI-61e7b1d5-3
0.404
JOR-UNI-61e7b1d5-5
0.404
JOR-UNI-61e7b1d5-20
0.402
MAT-POS-136e7878-1
0.398
JOR-UNI-61e7b1d5-22
0.396
JAN-GHE-f4ca5a00-11
0.393
EMI-TUK-a58865cc-2
0.388
EMI-TUK-a58865cc-3
0.386
EDG-MED-0da5ad92-20
0.385
MIC-UNK-cdc2493e-22
0.384
MIC-UNK-cdc2493e-16
0.381
MIC-UNK-cdc2493e-23
0.379
MIC-UNK-cdc2493e-3
0.379
MIC-UNK-cdc2493e-19
0.379
WIL-UNI-5578df48-1
0.375
MIC-UNK-cdc2493e-1
0.375
JAN-GHE-83b26c96-16
0.373
MAK-UNK-a7b37c5e-4
0.373
ADA-UNI-f8e79267-10
0.371
EDJ-MED-c314995a-1
0.367
VLA-UCB-05e51b3f-14
0.367
MIC-UNK-cdc2493e-24
0.367
CHR-SOS-7098f804-11
0.367
ADA-UNI-f8e79267-11
0.364
ADA-UNI-f8e79267-12
0.364
MIC-UNK-bcd487e9-9
0.364
ISA-SCH-8e98219b-4
0.364
MAK-UNK-ca11b4f7-1
0.362
WIL-UNI-5578df48-4
0.361
WAR-XCH-eb7b662f-3
0.360
VLA-UCB-34f3ed0c-13
0.360
DAR-DIA-23aa0b97-16
0.359
CHR-SOS-7098f804-14
0.357
MIC-UNK-cdc2493e-2
0.356
MIC-UNK-cdc2493e-15
0.356
MAK-UNK-f0bfc2e0-1
0.356
DAR-DIA-23aa0b97-15
0.355
ADA-UNI-f8e79267-7
0.355
MAR-TRE-67513f76-81
0.353
CHR-SOS-7098f804-16
0.352
ASH-UNK-40b46b30-1
0.352
BEN-BAS-e0d85f98-1
0.351
BEN-BAS-3b12fa42-1
0.351
MIC-UNK-bcd487e9-3
0.351
MIC-UNK-bcd487e9-5
0.351
EDG-MED-0da5ad92-3
0.349
EDG-MED-0da5ad92-19
0.349
SEA-TRI-6388eba6-1
0.349
CHR-SOS-7098f804-15
0.348
MIC-UNK-bcd487e9-1
0.347
ADA-UCB-dc2b944c-6
0.346
BEN-DND-61647d40-20
0.346
MAR-TRE-7f7bb9f0-74
0.346
ASH-UNK-40b46b30-9
0.345
ADA-UNI-f8e79267-8
0.344
SEA-TRI-8ad086cf-1
0.344