Molecular Properties | |
SMILES: | CCC(C(=O)Nc1cccnc1)N(c1ccccc1)S(C)(=O)=O |
MW: | 333.11 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.37 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1345309302 |
MolPort: | MolPort-006-777-494 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-55
0.754
KEI-TRE-d5e2018a-24
0.716
KEI-TRE-d5e2018a-16
0.686
KEI-TRE-d5e2018a-43
0.634
KEI-TRE-d5e2018a-69
0.527
KEI-TRE-d5e2018a-99
0.507
ASH-UNK-40b46b30-3
0.507
MAR-TRE-67513f76-32
0.507
KEI-TRE-d5e2018a-29
0.507
KEI-TRE-d5e2018a-42
0.500
KEI-TRE-d5e2018a-27
0.493
MAR-TRE-7f7bb9f0-16
0.493
KEI-TRE-d5e2018a-25
0.487
KEI-TRE-d5e2018a-17
0.486
WIL-UNI-5578df48-2
0.484
KEI-TRE-d5e2018a-19
0.474
MAK-UNK-f0bfc2e0-1
0.468
PET-SGC-b0f8bd49-1
0.467
BEN-DND-362d364a-12
0.467
DRE-WAB-ae4a693c-1
0.467
PET-SGC-d0156db4-1
0.467
JOH-IMS-62aeb97d-2
0.464
KEI-TRE-d5e2018a-34
0.463
KEI-TRE-d5e2018a-40
0.449
ADA-UNI-f8e79267-2
0.449
KEI-TRE-d5e2018a-80
0.444
ADA-UNI-f8e79267-1
0.443
MAR-TRE-7f7bb9f0-92
0.435
ADA-UNI-f8e79267-4
0.429
KEI-TRE-d5e2018a-76
0.427
KEI-TRE-d5e2018a-47
0.427
WIL-UNI-5578df48-3
0.427
ADA-UNI-f8e79267-5
0.421
WIL-UNI-5578df48-4
0.421
WIL-UNI-5578df48-1
0.419
EMI-TUK-a58865cc-5
0.416
JOH-IMS-62aeb97d-5
0.413
ASH-UNK-40b46b30-13
0.412
EMI-TUK-a58865cc-7
0.405
MAR-TRE-2fd8122f-79
0.400
EMI-TUK-a58865cc-6
0.400
TAM-UNI-c140e31a-10
0.395
EMI-TUK-a58865cc-4
0.395
AUS-ARG-7cfdce8f-11
0.394
AAR-POS-d2a4d1df-11
0.394
EMI-TUK-a58865cc-3
0.392
SAN-PRS-52b81272-3
0.391
SAN-PRS-52b81272-2
0.391
KEI-TRE-d5e2018a-71
0.391
MAK-UNK-ca11b4f7-1
0.391
EMI-TUK-a58865cc-1
0.390
MAR-TRE-3e4e6814-93
0.390
KEI-TRE-d5e2018a-56
0.386
KEI-TRE-d5e2018a-93
0.385
SAD-SAT-689b7d5a-4
0.385
MAK-UNK-a7b37c5e-1
0.384
MAR-TRE-4b834d9a-16
0.381
KEI-TRE-d5e2018a-7
0.381
MAR-TRE-67513f76-81
0.381
MAR-TRE-4b834d9a-27
0.379
KEI-TRE-d5e2018a-23
0.379
MED-UNK-e6e8ef8a-7
0.378
MED-UNK-e6e8ef8a-1
0.378
EMI-TUK-a58865cc-2
0.378
MAR-TRE-2fd8122f-90
0.378
KEI-TRE-d5e2018a-64
0.378
MAK-UNK-b2c98f02-5
0.378
CHR-SOS-70e4c98a-6
0.377
ZAC-WAB-3baddbb3-1
0.376
ZAC-WAB-d55a3c2e-2
0.376
KEI-TRE-d5e2018a-82
0.375
MAK-UNK-ca11b4f7-3
0.375
WIL-UNI-5578df48-6
0.375
MAK-UNK-a7b37c5e-2
0.373
KEI-TRE-d5e2018a-4
0.372
MAR-TRE-74c6519b-47
0.372
ADA-UNI-f8e79267-3
0.369
MAR-TRE-7f7bb9f0-49
0.368
MAR-TRE-2fd8122f-69
0.367
CHR-SOS-70e4c98a-8
0.367
MAR-TRE-04c86cea-97
0.367
ASH-UNK-40b46b30-9
0.366
MAK-UNK-c749d764-17
0.365
KEI-TRE-d5e2018a-92
0.365
ADA-UNI-f8e79267-8
0.364
KEI-TRE-d5e2018a-65
0.364
DAR-DIA-842b4336-13
0.360
ADA-UNI-f8e79267-7
0.360
MAR-TRE-2fd8122f-78
0.359
ANT-DIA-3c79be55-4
0.359
KEI-TRE-d5e2018a-87
0.359
MAR-TRE-2fd8122f-58
0.358
CHR-SOS-70e4c98a-3
0.358
MAR-TRE-2fd8122f-97
0.358
ALE-HEI-f28a35b5-15
0.357
MAK-UNK-c749d764-7
0.357
KEI-TRE-d5e2018a-89
0.357
KEI-TRE-d5e2018a-54
0.356
DAR-DIA-fc970077-9
0.356
MAR-TRE-2fd8122f-4
0.356