Molecular Properties | |
SMILES: | O=C(C[C@@H]1COCCN1)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 |
MW: | 374.11 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 92.35 |
cLogP: | 2.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-04c86cea-53
0.554
MAR-TRE-4b834d9a-24
0.526
MAR-TRE-67513f76-9
0.444
MED-UNK-e6e8ef8a-2
0.375
FRA-FAC-9ed5a63a-2
0.375
DAR-DIA-23aa0b97-16
0.368
MED-UNK-e6e8ef8a-5
0.364
MAR-TRE-2fd8122f-7
0.364
KEI-TRE-d5e2018a-10
0.360
CHR-SOS-7098f804-11
0.360
MED-UNK-e6e8ef8a-3
0.360
MAR-TRE-2fd8122f-55
0.358
MAR-TRE-b77b7921-53
0.357
KEI-TRE-d5e2018a-77
0.357
MAR-TRE-2fd8122f-85
0.356
MAR-TRE-2fd8122f-70
0.356
KEI-TRE-d5e2018a-61
0.353
MAR-TRE-2fd8122f-52
0.353
KEI-TRE-d5e2018a-53
0.352
FRA-FAC-9ed5a63a-1
0.352
AAR-POS-d2a4d1df-13
0.352
ALE-HEI-f28a35b5-9
0.352
KEI-TRE-d5e2018a-9
0.350
KEI-TRE-d5e2018a-13
0.350
DAR-DIA-23aa0b97-17
0.344
CHR-SOS-7098f804-13
0.344
MAR-TRE-2fd8122f-36
0.343
MAK-UNK-ca11b4f7-1
0.338
SAD-SAT-24589cd1-4
0.337
MED-UNK-e6e8ef8a-4
0.337
CHR-SOS-7098f804-14
0.337
MAR-TRE-7f7bb9f0-41
0.337
MAR-TRE-9c797165-38
0.337
THO-SYG-f9b2970d-2
0.337
MAR-TRE-2fd8122f-86
0.336
KEI-TRE-d5e2018a-52
0.333
DAR-DIA-842b4336-13
0.333
DAR-DIA-23aa0b97-15
0.333
MAK-UNK-a7b37c5e-4
0.333
EDG-MED-0da5ad92-2
0.333
MAR-TRE-2fd8122f-15
0.333
JOH-UNI-abdb2f0c-2
0.330
MAR-TRE-f6f5f473-36
0.330
THO-SYG-f9b2970d-1
0.330
MAR-TRE-67513f76-51
0.330
WIL-UNI-1faa9b10-8
0.330
MAR-TRE-3e4e6814-62
0.330
MAR-TRE-74c6519b-54
0.330
JOR-UNI-2fc98d0b-7
0.330
WAR-XCH-eb7b662f-7
0.330
MAK-UNK-a7b37c5e-5
0.330
JAN-GHE-83b26c96-19
0.330
DAR-DIA-23aa0b97-14
0.330
AUS-ARG-7cfdce8f-11
0.330
MAR-TRE-67513f76-81
0.329
MAR-TRE-2fd8122f-25
0.327
MAR-TRE-2fd8122f-88
0.327
MAR-TRE-7f7bb9f0-74
0.326
CHR-SOS-7098f804-12
0.326
KEI-TRE-d5e2018a-22
0.324
MAR-TRE-2fd8122f-21
0.324
WIL-UNI-5578df48-23
0.324
KEI-TRE-d5e2018a-32
0.323
MAR-TRE-3e4e6814-34
0.323
MAK-UNK-a7b37c5e-1
0.322
JOH-IMS-62aeb97d-5
0.321
MAR-TRE-2fd8122f-9
0.321
MAR-TRE-7f7bb9f0-84
0.321
KEI-TRE-d5e2018a-6
0.321
SAD-SAT-cefd50cc-6
0.320
MAR-TRE-2fd8122f-31
0.320
CHR-SOS-7098f804-16
0.320
MAR-TRE-2fd8122f-57
0.319
DAR-DIA-842b4336-11
0.319
MAR-TRE-2fd8122f-27
0.318
MAR-TRE-4b834d9a-71
0.318
JOR-UNI-2fc98d0b-1
0.318
CHR-SOS-7098f804-15
0.317
KEI-TRE-d5e2018a-44
0.316
MAK-UNK-a7b37c5e-2
0.315
MAR-TRE-9c797165-22
0.315
JOH-IMS-62aeb97d-4
0.315
MAR-TRE-3e4e6814-92
0.314
ALE-HEI-f28a35b5-14
0.314
MAR-TRE-67513f76-90
0.312
SAD-SAT-135344c3-1
0.311
MAR-TRE-2fd8122f-84
0.311
DAR-DIA-842b4336-10
0.311
MAK-UNK-d1e89583-4
0.311
MAR-TRE-3e4e6814-47
0.311
KEI-TRE-d5e2018a-36
0.311
MAR-TRE-2fd8122f-89
0.311
SAN-PRS-52b81272-2
0.310
WIL-UNI-5578df48-17
0.310
SAD-SAT-f25ee457-3
0.310
THO-SYG-f9b2970d-6
0.309
MAR-TRE-7f7bb9f0-56
0.309
MAK-UNK-009ebe36-4
0.308
BAR-COM-21d20d65-2
0.308
MAR-TRE-7f7bb9f0-82
0.308