Molecular Properties | |
SMILES: | CC1CCN(CCN(C(=O)Nc2cccnc2)c2cccc(Cl)c2)CC1 |
MW: | 372.9 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 4.5054 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOR-UNI-2fc98d0b-13
0.821
JOR-UNI-2fc98d0b-11
0.772
JOR-UNI-2fc98d0b-17
0.750
JOR-UNI-2fc98d0b-6
0.732
JOR-UNI-2fc98d0b-10
0.732
JOR-UNI-2fc98d0b-14
0.732
JOR-UNI-2fc98d0b-9
0.674
JOR-UNI-2fc98d0b-8
0.671
JOR-UNI-2fc98d0b-12
0.616
JOR-UNI-2fc98d0b-2
0.610
JOR-UNI-2fc98d0b-3
0.609
ERI-UCB-ce40166b-23
0.593
JOR-UNI-2fc98d0b-5
0.591
JOR-UNI-61e7b1d5-24
0.587
JOR-UNI-2fc98d0b-16
0.568
JOR-UNI-2fc98d0b-1
0.556
JOR-UNI-2fc98d0b-4
0.556
JOR-UNI-61e7b1d5-28
0.548
JOR-UNI-61e7b1d5-22
0.537
JOR-UNI-61e7b1d5-30
0.532
JOR-UNI-61e7b1d5-26
0.526
JOR-UNI-61e7b1d5-16
0.521
JOR-UNI-61e7b1d5-10
0.485
JOR-UNI-61e7b1d5-9
0.462
JOR-UNI-61e7b1d5-5
0.440
JOR-UNI-61e7b1d5-25
0.439
VLA-UCB-34f3ed0c-13
0.437
JOR-UNI-61e7b1d5-18
0.434
JOR-UNI-61e7b1d5-23
0.434
JOR-UNI-61e7b1d5-14
0.426
JOR-UNI-61e7b1d5-7
0.417
JAN-GHE-f4ca5a00-11
0.417
MAT-POS-136e7878-1
0.406
JOR-UNI-61e7b1d5-12
0.402
EMI-TUK-a58865cc-5
0.400
JOR-UNI-61e7b1d5-29
0.398
JOR-UNI-61e7b1d5-3
0.398
JOR-UNI-61e7b1d5-20
0.396
JOR-UNI-61e7b1d5-31
0.394
JOR-UNI-61e7b1d5-27
0.394
MIC-UNK-cdc2493e-22
0.393
KEI-TRE-d5e2018a-16
0.392
EMI-TUK-a58865cc-7
0.391
MIC-UNK-cdc2493e-24
0.390
KEI-TRE-d5e2018a-19
0.389
MIC-UNK-cdc2493e-23
0.388
JOR-UNI-61e7b1d5-17
0.387
EMI-TUK-a58865cc-6
0.387
EMI-TUK-a58865cc-4
0.383
JOR-UNI-2fc98d0b-7
0.381
JAN-GHE-83b26c96-19
0.381
DAR-DIA-23aa0b97-14
0.381
WAR-XCH-eb7b662f-7
0.381
ASH-UNK-40b46b30-9
0.372
MIC-UNK-cdc2493e-1
0.371
EDG-MED-0da5ad92-2
0.368
WIL-UNI-5578df48-2
0.366
ASH-UNK-40b46b30-3
0.366
EDJ-MED-c314995a-1
0.364
VLA-UCB-05e51b3f-14
0.364
JOR-UNI-61e7b1d5-11
0.364
WIL-UNI-5578df48-3
0.363
ADA-UNI-f8e79267-12
0.361
CHR-SOS-7098f804-12
0.360
JOR-UNI-61e7b1d5-6
0.360
MIC-UNK-cdc2493e-2
0.355
MIC-UNK-cdc2493e-15
0.355
ADA-UNI-f8e79267-9
0.353
EDG-MED-0da5ad92-20
0.353
EMI-TUK-a58865cc-3
0.351
RAY-UNI-5365d7e5-1
0.351
SAD-SAT-135344c3-8
0.350
DUN-NEW-f8ce3686-17
0.350
MIC-UNK-cdc2493e-19
0.349
MIC-UNK-cdc2493e-3
0.349
MIC-UNK-bcd487e9-3
0.349
MED-UNK-e6e8ef8a-3
0.348
ADA-UCB-dc2b944c-6
0.345
WIL-UNI-5578df48-4
0.344
MIC-UNK-bcd487e9-2
0.343
MIC-UNK-bcd487e9-10
0.343
KAY-MCD-59dc2eb3-1
0.342
WIL-UNI-5578df48-1
0.341
MAK-UNK-f0bfc2e0-1
0.340
EMI-TUK-a58865cc-2
0.340
ADA-UNI-f8e79267-10
0.340
MAR-TRE-d0525fbf-84
0.340
JOR-UNI-61e7b1d5-15
0.339
JOR-UNI-61e7b1d5-19
0.339
EMI-TUK-a58865cc-1
0.337
ASH-UNK-40b46b30-1
0.337
BEN-BAS-e0d85f98-1
0.337
MIC-UNK-bcd487e9-9
0.336
MIC-UNK-cdc2493e-17
0.333
ADA-UNI-f8e79267-11
0.333
MAC-MCD-76766525-1
0.331
JOR-UNI-61e7b1d5-13
0.330
MAR-TRE-2fd8122f-88
0.330
JOR-UNI-61e7b1d5-4
0.327
MIC-UNK-cdc2493e-16
0.327