Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)N(CCC1CC1)c1cccc(Cl)c1 |
MW: | 315.804 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 45.23 |
cLogP: | 4.5736 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOR-UNI-2fc98d0b-12
0.868
JOR-UNI-2fc98d0b-2
0.714
JOR-UNI-2fc98d0b-13
0.688
JOR-UNI-61e7b1d5-9
0.676
JOR-UNI-2fc98d0b-15
0.671
ERI-UCB-ce40166b-23
0.667
JOR-UNI-2fc98d0b-17
0.662
JOR-UNI-2fc98d0b-11
0.662
JOR-UNI-2fc98d0b-6
0.646
JOR-UNI-2fc98d0b-10
0.646
JOR-UNI-2fc98d0b-3
0.620
JOR-UNI-2fc98d0b-14
0.605
JOR-UNI-61e7b1d5-18
0.605
JOR-UNI-2fc98d0b-16
0.595
JOR-UNI-2fc98d0b-9
0.593
JOR-UNI-2fc98d0b-1
0.580
JOR-UNI-2fc98d0b-5
0.580
JOR-UNI-2fc98d0b-4
0.580
MAT-POS-136e7878-1
0.548
MIC-UNK-cdc2493e-1
0.517
EDJ-MED-c314995a-1
0.506
VLA-UCB-05e51b3f-14
0.506
JOR-UNI-61e7b1d5-7
0.476
JOR-UNI-61e7b1d5-24
0.473
JOR-UNI-61e7b1d5-20
0.466
RAY-UNI-5365d7e5-1
0.464
EMI-TUK-a58865cc-5
0.462
JOR-UNI-61e7b1d5-28
0.451
JOR-UNI-61e7b1d5-30
0.451
EMI-TUK-a58865cc-7
0.450
KEI-TRE-d5e2018a-19
0.446
JOR-UNI-61e7b1d5-26
0.446
EMI-TUK-a58865cc-6
0.444
MAT-UCB-93f6aed8-2
0.442
JAN-GHE-f4ca5a00-11
0.442
JOR-UNI-61e7b1d5-16
0.441
EMI-TUK-a58865cc-4
0.439
JOR-UNI-61e7b1d5-5
0.435
KEI-TRE-d5e2018a-16
0.430
WIL-UNI-5578df48-2
0.429
MIC-UNK-cdc2493e-2
0.427
MIC-UNK-cdc2493e-15
0.427
EDG-MED-0da5ad92-2
0.427
JOR-UNI-61e7b1d5-22
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
JOR-UNI-61e7b1d5-19
0.423
CHR-SOS-7098f804-12
0.419
WIL-UNI-5578df48-3
0.418
ADA-UNI-f8e79267-12
0.412
JOR-UNI-61e7b1d5-10
0.410
JOR-UNI-61e7b1d5-12
0.409
MIC-UNK-bcd487e9-3
0.409
JOR-UNI-61e7b1d5-3
0.404
JOR-UNI-61e7b1d5-14
0.404
EMI-TUK-a58865cc-3
0.402
ASH-UNK-40b46b30-3
0.402
MIC-UNK-bcd487e9-2
0.400
ASH-UNK-40b46b30-9
0.393
EMI-TUK-a58865cc-2
0.388
ADA-UCB-dc2b944c-6
0.386
MAT-POS-173a45da-1
0.385
EDG-MED-0da5ad92-20
0.385
ADA-UNI-f8e79267-9
0.385
EMI-TUK-a58865cc-1
0.384
BEN-BAS-e0d85f98-1
0.380
MIC-UNK-cdc2493e-3
0.379
MIC-UNK-cdc2493e-19
0.379
MIC-UNK-cdc2493e-23
0.379
WIL-UNI-5578df48-4
0.378
MIC-UNK-bcd487e9-4
0.378
ALE-HEI-f28a35b5-9
0.377
FRA-FAC-9ed5a63a-1
0.377
AAR-POS-d2a4d1df-13
0.377
WIL-UNI-5578df48-1
0.375
VLA-UCB-34f3ed0c-13
0.374
MAK-UNK-a7b37c5e-4
0.373
MIC-UNK-cdc2493e-22
0.370
MIC-UNK-cdc2493e-24
0.367
MIC-UNK-cdc2493e-16
0.367
FRA-FAC-9ed5a63a-2
0.367
MED-UNK-e6e8ef8a-2
0.367
MED-UNK-e6e8ef8a-3
0.367
EDG-MED-0da5ad92-3
0.366
MIC-UNK-bcd487e9-6
0.364
JOR-UNI-61e7b1d5-21
0.364
ADA-UNI-f8e79267-11
0.364
MAK-UNK-ca11b4f7-1
0.362
WAR-XCH-eb7b662f-3
0.360
DAR-DIA-23aa0b97-16
0.359
MAK-UNK-f0bfc2e0-1
0.356
SIM-SYN-a98e6a07-2
0.356
ADA-UNI-f8e79267-10
0.356
DAR-DIA-23aa0b97-15
0.355
MAR-TRE-67513f76-81
0.353
JOR-UNI-61e7b1d5-25
0.352
SAD-SAT-135344c3-8
0.351
MAR-TRE-04c86cea-65
0.351