Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CN1CCC(O)CC1)c1cccc(Cl)c1 |
MW: | 360.845 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 68.7 |
cLogP: | 3.1877 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
JOR-UNI-2fc98d0b-14
0.816
JOR-UNI-2fc98d0b-16
0.763
JOR-UNI-2fc98d0b-1
0.744
JOR-UNI-2fc98d0b-4
0.744
JOR-UNI-2fc98d0b-5
0.744
JOR-UNI-2fc98d0b-13
0.725
JOR-UNI-61e7b1d5-5
0.707
JOR-UNI-2fc98d0b-8
0.620
JOR-UNI-2fc98d0b-15
0.609
JOR-UNI-2fc98d0b-11
0.581
JOR-UNI-2fc98d0b-17
0.581
JOR-UNI-2fc98d0b-2
0.580
JOR-UNI-61e7b1d5-22
0.578
JOR-UNI-2fc98d0b-12
0.570
JOR-UNI-2fc98d0b-6
0.568
JOR-UNI-2fc98d0b-10
0.568
ERI-UCB-ce40166b-23
0.529
JOR-UNI-61e7b1d5-12
0.527
JOR-UNI-61e7b1d5-24
0.527
JOR-UNI-2fc98d0b-9
0.526
JOR-UNI-61e7b1d5-14
0.522
JOR-UNI-61e7b1d5-3
0.522
JOR-UNI-61e7b1d5-6
0.500
ASH-UNK-40b46b30-9
0.453
JOR-UNI-61e7b1d5-9
0.435
JOR-UNI-61e7b1d5-25
0.429
KEI-TRE-d5e2018a-16
0.424
JOR-UNI-61e7b1d5-28
0.414
JOR-UNI-61e7b1d5-30
0.414
JOR-UNI-61e7b1d5-20
0.412
JOR-UNI-61e7b1d5-26
0.410
JOR-UNI-61e7b1d5-23
0.410
JOR-UNI-61e7b1d5-18
0.408
KEI-TRE-d5e2018a-19
0.407
JOR-UNI-61e7b1d5-16
0.406
JOR-UNI-61e7b1d5-7
0.404
EMI-TUK-a58865cc-5
0.402
WIL-UNI-5578df48-3
0.395
EMI-TUK-a58865cc-7
0.393
EDG-MED-0da5ad92-2
0.386
BEN-DND-362d364a-11
0.385
WIL-UNI-5578df48-2
0.385
EMI-TUK-a58865cc-4
0.385
JAN-GHE-83b26c96-19
0.383
WAR-XCH-eb7b662f-7
0.383
JOR-UNI-2fc98d0b-7
0.383
DAR-DIA-23aa0b97-14
0.383
ASH-UNK-40b46b30-3
0.382
JOR-UNI-61e7b1d5-10
0.380
CHR-SOS-7098f804-12
0.378
JAN-GHE-f4ca5a00-11
0.375
EMI-TUK-a58865cc-6
0.374
JOR-UNI-61e7b1d5-13
0.368
ANT-DIA-3c79be55-5
0.367
EMI-TUK-a58865cc-3
0.367
MAT-POS-136e7878-1
0.366
JOR-UNI-61e7b1d5-4
0.364
JOR-UNI-61e7b1d5-15
0.364
DUN-NEW-f8ce3686-17
0.364
MIC-UNK-bcd487e9-3
0.363
ADA-UNI-f8e79267-12
0.362
MAR-TRE-2fd8122f-88
0.357
MIC-UNK-bcd487e9-2
0.356
EMI-TUK-a58865cc-2
0.355
KAY-MCD-59dc2eb3-1
0.355
ADA-UNI-f8e79267-10
0.354
ADA-UNI-f8e79267-9
0.354
WIL-UNI-5578df48-30
0.354
EDG-MED-0da5ad92-20
0.354
DOU-UNK-b5326f8f-19
0.354
MED-UNK-e6e8ef8a-5
0.353
MAC-MCD-76766525-1
0.352
EMI-TUK-a58865cc-1
0.351
SAD-SAT-135344c3-8
0.350
MIC-UNK-bcd487e9-6
0.349
ADA-UNI-f8e79267-11
0.347
MIC-UNK-cdc2493e-1
0.346
VLA-UCB-34f3ed0c-13
0.346
WIL-UNI-5578df48-4
0.344
AAR-POS-d2a4d1df-13
0.341
ALE-HEI-f28a35b5-9
0.341
FRA-FAC-9ed5a63a-1
0.341
WIL-UNI-5578df48-1
0.341
SAD-SAT-135344c3-9
0.340
MAR-TRE-d0525fbf-84
0.340
VLA-UCB-05e51b3f-14
0.340
EDJ-MED-c314995a-1
0.340
MAK-UNK-a7b37c5e-4
0.337
BEN-BAS-e0d85f98-1
0.337
MIC-UNK-bcd487e9-4
0.336
JOR-UNI-61e7b1d5-21
0.336
JOR-UNI-61e7b1d5-29
0.336
PET-UNK-ac320b15-4
0.336
PET-UNK-ac320b15-3
0.336
MIC-UNK-bcd487e9-1
0.333
MIC-UNK-cdc2493e-17
0.333
JOR-UNI-61e7b1d5-31
0.333
MED-UNK-e6e8ef8a-3
0.333
JOR-UNI-61e7b1d5-27
0.333
FRA-FAC-9ed5a63a-2
0.333