Molecular Properties | |
SMILES: | CC1CCN(CN(C(=O)Nc2cccnc2)c2cccc(Cl)c2)CC1 |
MW: | 358.873 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 48.47 |
cLogP: | 4.4629 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
JOR-UNI-2fc98d0b-3
0.816
JOR-UNI-2fc98d0b-5
0.747
JOR-UNI-2fc98d0b-16
0.744
JOR-UNI-2fc98d0b-15
0.732
JOR-UNI-2fc98d0b-4
0.725
JOR-UNI-2fc98d0b-1
0.725
JOR-UNI-61e7b1d5-22
0.714
JOR-UNI-2fc98d0b-13
0.609
JOR-UNI-2fc98d0b-8
0.605
JOR-UNI-2fc98d0b-11
0.586
JOR-UNI-61e7b1d5-5
0.578
JOR-UNI-2fc98d0b-17
0.568
JOR-UNI-2fc98d0b-2
0.566
JOR-UNI-2fc98d0b-12
0.557
JOR-UNI-2fc98d0b-10
0.556
JOR-UNI-2fc98d0b-6
0.556
JOR-UNI-61e7b1d5-14
0.527
ERI-UCB-ce40166b-23
0.517
JOR-UNI-61e7b1d5-12
0.516
JOR-UNI-2fc98d0b-9
0.515
JOR-UNI-61e7b1d5-23
0.515
JOR-UNI-61e7b1d5-3
0.511
JOR-UNI-61e7b1d5-24
0.440
KEI-TRE-d5e2018a-16
0.430
JOR-UNI-61e7b1d5-9
0.426
JOR-UNI-61e7b1d5-28
0.420
JOR-UNI-61e7b1d5-6
0.419
JOR-UNI-61e7b1d5-30
0.406
JOR-UNI-61e7b1d5-20
0.404
JOR-UNI-61e7b1d5-26
0.402
JOR-UNI-61e7b1d5-18
0.400
JOR-UNI-61e7b1d5-16
0.398
KEI-TRE-d5e2018a-19
0.398
JAN-GHE-f4ca5a00-11
0.396
JOR-UNI-61e7b1d5-7
0.396
ASH-UNK-40b46b30-9
0.396
EMI-TUK-a58865cc-5
0.393
WIL-UNI-5578df48-2
0.392
JAN-GHE-83b26c96-19
0.390
DAR-DIA-23aa0b97-14
0.390
WAR-XCH-eb7b662f-7
0.390
JOR-UNI-2fc98d0b-7
0.390
ASH-UNK-40b46b30-3
0.389
MED-UNK-e6e8ef8a-3
0.388
WIL-UNI-5578df48-3
0.386
EMI-TUK-a58865cc-7
0.385
EDG-MED-0da5ad92-2
0.376
EMI-TUK-a58865cc-4
0.376
JOR-UNI-61e7b1d5-13
0.374
EMI-TUK-a58865cc-3
0.374
JOR-UNI-61e7b1d5-10
0.373
MAT-POS-136e7878-1
0.373
JOR-UNI-61e7b1d5-4
0.370
JOR-UNI-61e7b1d5-15
0.370
JOR-UNI-61e7b1d5-25
0.369
CHR-SOS-7098f804-12
0.369
ADA-UNI-f8e79267-12
0.368
WIL-UNI-5578df48-4
0.367
EMI-TUK-a58865cc-6
0.366
WIL-UNI-5578df48-1
0.364
EMI-TUK-a58865cc-2
0.362
EDG-MED-0da5ad92-20
0.360
ADA-UNI-f8e79267-9
0.360
EMI-TUK-a58865cc-1
0.358
SAD-SAT-135344c3-8
0.356
MIC-UNK-bcd487e9-3
0.356
MIC-UNK-bcd487e9-2
0.349
MED-UNK-e6e8ef8a-4
0.348
KAY-MCD-59dc2eb3-1
0.348
MAK-UNK-f0bfc2e0-1
0.347
MAC-MCD-76766525-1
0.347
MAR-TRE-d0525fbf-84
0.346
BEN-BAS-e0d85f98-1
0.343
DUN-NEW-f8ce3686-17
0.343
MIC-UNK-bcd487e9-6
0.343
JOR-UNI-61e7b1d5-29
0.342
ADA-UNI-f8e79267-11
0.340
MIC-UNK-cdc2493e-1
0.340
VLA-UCB-34f3ed0c-13
0.339
JOR-UNI-61e7b1d5-27
0.339
JOR-UNI-61e7b1d5-31
0.339
MAR-TRE-2fd8122f-88
0.337
MIC-UNK-bcd487e9-10
0.336
THO-SYG-f9b2970d-2
0.333
EDJ-MED-c314995a-1
0.333
AAR-POS-d2a4d1df-13
0.333
FRA-FAC-9ed5a63a-1
0.333
ALE-HEI-f28a35b5-9
0.333
ADA-UNI-f8e79267-10
0.333
SAD-SAT-135344c3-9
0.333
JOR-UNI-61e7b1d5-17
0.333
JOR-UNI-61e7b1d5-19
0.333
THO-SYG-f9b2970d-5
0.333
VLA-UCB-05e51b3f-14
0.333
MIC-UNK-bcd487e9-4
0.330
MIC-UNK-bcd487e9-9
0.330
JOR-UNI-61e7b1d5-21
0.330
MIC-UNK-cdc2493e-19
0.330
ASH-UNK-40b46b30-1
0.330
MAR-TRE-7f7bb9f0-33
0.330