Molecular Properties | |
SMILES: | CN1CCN(CCN(C(=O)Nc2cccnc2)c2cccc(Cl)c2)CC1 |
MW: | 373.888 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 51.71 |
cLogP: | 3.0209 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOR-UNI-2fc98d0b-17
0.813
JOR-UNI-2fc98d0b-15
0.772
JOR-UNI-2fc98d0b-13
0.769
JOR-UNI-2fc98d0b-10
0.769
JOR-UNI-2fc98d0b-6
0.769
JOR-UNI-2fc98d0b-5
0.744
JOR-UNI-2fc98d0b-9
0.726
JOR-UNI-61e7b1d5-28
0.707
JOR-UNI-2fc98d0b-8
0.662
JOR-UNI-2fc98d0b-2
0.641
JOR-UNI-2fc98d0b-16
0.614
JOR-UNI-2fc98d0b-12
0.607
ERI-UCB-ce40166b-23
0.602
JOR-UNI-2fc98d0b-14
0.586
JOR-UNI-2fc98d0b-4
0.581
JOR-UNI-2fc98d0b-1
0.581
JOR-UNI-2fc98d0b-3
0.581
JOR-UNI-61e7b1d5-30
0.573
JOR-UNI-61e7b1d5-26
0.549
JOR-UNI-61e7b1d5-16
0.543
JOR-UNI-61e7b1d5-24
0.543
JOR-UNI-61e7b1d5-14
0.538
JOR-UNI-61e7b1d5-10
0.520
JOR-UNI-61e7b1d5-29
0.515
VLA-UCB-34f3ed0c-13
0.455
JOR-UNI-61e7b1d5-9
0.451
JOR-UNI-61e7b1d5-7
0.435
JOR-UNI-61e7b1d5-15
0.431
JOR-UNI-61e7b1d5-31
0.423
JOR-UNI-61e7b1d5-18
0.423
JOR-UNI-61e7b1d5-22
0.420
EMI-TUK-a58865cc-5
0.419
JOR-UNI-61e7b1d5-12
0.418
MIC-UNK-cdc2493e-23
0.418
EMI-TUK-a58865cc-4
0.416
JOR-UNI-61e7b1d5-3
0.414
JOR-UNI-61e7b1d5-5
0.414
SAD-SAT-135344c3-9
0.411
JOR-UNI-61e7b1d5-27
0.410
EMI-TUK-a58865cc-7
0.409
KEI-TRE-d5e2018a-16
0.409
MAT-POS-136e7878-1
0.408
KEI-TRE-d5e2018a-19
0.407
MIC-UNK-cdc2493e-24
0.406
EMI-TUK-a58865cc-6
0.404
JOR-UNI-61e7b1d5-17
0.402
JOR-UNI-61e7b1d5-25
0.402
ALE-HEI-f28a35b5-16
0.400
MIC-UNK-cdc2493e-22
0.394
JAN-GHE-f4ca5a00-11
0.389
JOR-UNI-61e7b1d5-11
0.389
MAR-TRE-9c797165-52
0.386
EDG-MED-0da5ad92-2
0.386
WIL-UNI-5578df48-2
0.385
JOR-UNI-61e7b1d5-20
0.384
WAR-XCH-eb7b662f-7
0.383
JOR-UNI-2fc98d0b-7
0.383
JAN-GHE-83b26c96-19
0.383
DAR-DIA-23aa0b97-14
0.383
ASH-UNK-40b46b30-3
0.382
EDG-MED-0da5ad92-20
0.381
ADA-UNI-f8e79267-9
0.381
WIL-UNI-5578df48-3
0.379
CHR-SOS-7098f804-12
0.378
ADA-UNI-f8e79267-12
0.376
SAD-SAT-135344c3-7
0.371
EMI-TUK-a58865cc-3
0.367
SAD-SAT-135344c3-8
0.364
MIC-UNK-cdc2493e-19
0.363
DAR-DIA-43a5904b-17
0.360
MIC-UNK-cdc2493e-1
0.359
ASH-UNK-40b46b30-9
0.359
MIC-UNK-bcd487e9-10
0.356
MIC-UNK-cdc2493e-15
0.355
EMI-TUK-a58865cc-2
0.355
MAK-UNK-f0bfc2e0-1
0.355
KAY-MCD-59dc2eb3-1
0.355
ADA-UNI-f8e79267-10
0.354
MAR-TRE-d0525fbf-84
0.353
EDJ-MED-c314995a-1
0.352
VLA-UCB-05e51b3f-14
0.352
EMI-TUK-a58865cc-1
0.351
MAK-UNK-009ebe36-2
0.351
MAR-TRE-d0525fbf-97
0.350
BEN-BAS-e0d85f98-1
0.350
MIC-UNK-cdc2493e-3
0.350
MIC-UNK-bcd487e9-9
0.349
EDG-MED-0da5ad92-3
0.348
EDG-MED-0da5ad92-19
0.348
MAR-TRE-67513f76-73
0.348
ADA-UNI-f8e79267-11
0.347
WIL-UNI-5578df48-4
0.344
MIC-UNK-cdc2493e-2
0.343
JOR-UNI-61e7b1d5-13
0.343
WIL-UNI-5578df48-1
0.341
MAR-TRE-3e4e6814-65
0.340
ADA-UNI-f8e79267-7
0.340
MIC-UNK-cdc2493e-16
0.340
JOR-UNI-61e7b1d5-4
0.339
RAY-UNI-5365d7e5-1
0.339