Molecular Properties | |
SMILES: | CC(O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccnc1 |
MW: | 385.11 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 108.39 |
cLogP: | 1.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z280476734 |
Hetero_hetero
KEI-TRE-d5e2018a-73
0.472
SAD-SAT-f25ee457-8
0.429
MAR-TRE-2fd8122f-1
0.400
KEI-TRE-d5e2018a-25
0.386
KEI-TRE-d5e2018a-40
0.386
KEI-TRE-d5e2018a-17
0.384
MAR-TRE-7f7bb9f0-16
0.375
KEI-TRE-d5e2018a-27
0.375
KEI-TRE-d5e2018a-29
0.371
MED-UNK-e6e8ef8a-1
0.370
KEI-TRE-d5e2018a-34
0.370
KEI-TRE-d5e2018a-47
0.370
KEI-TRE-d5e2018a-80
0.370
BEN-DND-362d364a-12
0.368
MAR-TRE-67513f76-32
0.368
DRE-WAB-ae4a693c-1
0.368
MAR-TRE-2fd8122f-97
0.368
PET-SGC-d0156db4-1
0.368
KEI-TRE-d5e2018a-99
0.368
PET-SGC-b0f8bd49-1
0.368
SAD-SAT-f25ee457-7
0.366
MAR-TRE-2fd8122f-4
0.365
KEI-TRE-d5e2018a-42
0.364
KEI-TRE-d5e2018a-19
0.363
JOH-IMS-62aeb97d-2
0.358
TAM-UNI-c140e31a-13
0.358
ADA-UNI-f8e79267-2
0.356
KEI-TRE-d5e2018a-69
0.356
KEI-TRE-d5e2018a-76
0.355
KEI-TRE-d5e2018a-81
0.352
ADA-UNI-f8e79267-1
0.352
WAR-XCH-eb7b662f-6
0.350
MAR-TRE-3e4e6814-93
0.349
MAR-TRE-7f7bb9f0-49
0.345
SAD-SAT-689b7d5a-4
0.345
ADA-UNI-f8e79267-5
0.345
ASH-UNK-40b46b30-13
0.341
MED-UNK-e6e8ef8a-7
0.337
IAN-BAS-df1706d7-1
0.337
ADA-UNI-f8e79267-4
0.337
MAR-TRE-9c797165-24
0.337
MAK-UNK-009ebe36-2
0.337
TAM-UNI-c140e31a-7
0.337
MAR-TRE-7f7bb9f0-92
0.337
KEI-TRE-d5e2018a-93
0.337
ALE-MCD-4ac17b19-1
0.333
KEI-TRE-d5e2018a-24
0.333
ADA-UNI-f8e79267-8
0.330
KEI-TRE-d5e2018a-43
0.330
AAR-POS-d2a4d1df-11
0.329
MAK-UNK-ca11b4f7-3
0.329
ADA-UNI-f8e79267-7
0.327
KEI-TRE-d5e2018a-9
0.327
MAR-TRE-2fd8122f-2
0.326
MAR-TRE-2fd8122f-79
0.326
MAK-UNK-a7b37c5e-1
0.325
JOH-IMS-62aeb97d-5
0.324
NIM-NMI-8bb27a2b-26
0.324
CHR-SOS-363cfb78-4
0.324
KEI-TRE-d5e2018a-10
0.323
KEI-TRE-d5e2018a-16
0.323
BAR-COM-5694a99d-4
0.323
KEI-TRE-d5e2018a-55
0.323
KEI-TRE-d5e2018a-28
0.323
MAR-TRE-f6f5f473-29
0.323
MAR-TRE-2fd8122f-58
0.322
ASH-UNK-40b46b30-3
0.322
MAR-TRE-2fd8122f-78
0.322
WIL-UNI-5578df48-21
0.321
DAR-DIA-842b4336-2
0.321
MAR-TRE-2fd8122f-82
0.319
ADA-UNI-f8e79267-11
0.319
MAR-TRE-2fd8122f-37
0.319
MAR-TRE-67513f76-73
0.318
WAR-XCH-eb7b662f-1
0.318
JOR-UNI-61e7b1d5-2
0.318
ANN-UNI-26382800-4
0.318
DAR-DIA-23aa0b97-5
0.318
AUS-ARG-7cfdce8f-11
0.317
WAR-XCH-eb7b662f-7
0.317
DAR-DIA-23aa0b97-14
0.317
JAN-GHE-83b26c96-19
0.317
JOR-UNI-2fc98d0b-7
0.317
KEI-TRE-d5e2018a-53
0.317
WIL-UNI-5578df48-2
0.316
SAD-SAT-135344c3-2
0.316
MAR-TRE-04c86cea-46
0.316
MAK-UNK-c749d764-9
0.316
NIM-NMI-8bb27a2b-9
0.315
MAR-TRE-2fd8122f-98
0.315
SAD-SAT-689b7d5a-6
0.315
JAR-KUA-672ec752-6
0.315
MAR-TRE-67513f76-81
0.315
MAR-TRE-2fd8122f-69
0.315
CHA-MCP-85291e1d-2
0.315
TAM-UNI-c140e31a-1
0.314
MAK-UNK-d1e89583-7
0.313
MAR-TRE-2fd8122f-84
0.313
KEI-TRE-d5e2018a-13
0.313
MAR-TRE-f6f5f473-75
0.312