Molecular Properties | |
SMILES: | CS(=O)(=O)NCC(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 319.386 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 1.3531 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
PET-SGC-b0f8bd49-1
1.000
BEN-DND-362d364a-12
1.000
PET-SGC-d0156db4-1
1.000
ADA-UNI-f8e79267-2
0.687
DAN-RED-da448e80-1
0.592
DRE-WAB-eb790b7a-1
0.592
PED-UNI-8d53fd73-1
0.592
PED-UNI-5b7f1100-1
0.592
ADA-UNI-f8e79267-5
0.588
ADA-UNI-f8e79267-1
0.562
TAM-UNI-c140e31a-10
0.548
ASH-UNK-40b46b30-13
0.507
ADA-UNI-f8e79267-8
0.500
ADA-UNI-f8e79267-4
0.486
ASH-UNK-40b46b30-3
0.486
KEI-TRE-d5e2018a-81
0.467
AUS-ARG-7cfdce8f-11
0.456
MAK-UNK-27459e11-13
0.453
ADA-UNI-f8e79267-7
0.440
DAN-RED-da448e80-9
0.438
MAR-TRE-2fd8122f-90
0.430
ZAC-WAB-d55a3c2e-2
0.427
ZAC-WAB-3baddbb3-1
0.427
DAN-RED-da448e80-3
0.425
DAN-RED-da448e80-5
0.420
ADA-UNI-f8e79267-3
0.420
ADA-UNI-f8e79267-11
0.420
AAR-POS-d2a4d1df-11
0.415
DAN-RED-da448e80-13
0.410
KEI-TRE-d5e2018a-55
0.407
DAN-RED-da448e80-2
0.407
KEI-TRE-d5e2018a-42
0.405
JOH-IMS-62aeb97d-2
0.403
KEI-TRE-d5e2018a-43
0.398
MED-UNK-e6e8ef8a-1
0.397
KEI-TRE-d5e2018a-69
0.395
MAR-TRE-67513f76-32
0.392
KEI-TRE-d5e2018a-17
0.392
KEI-TRE-d5e2018a-99
0.392
MAR-TRE-2fd8122f-97
0.392
MAK-UNK-a7b37c5e-2
0.392
SAN-PRS-52b81272-2
0.391
JOH-IMS-62aeb97d-5
0.391
MAK-UNK-c749d764-7
0.390
PET-SGC-d0156db4-2
0.390
DAN-RED-da448e80-4
0.389
WAR-XCH-6eb0722e-6
0.386
KEI-TRE-d5e2018a-24
0.386
SAD-SAT-689b7d5a-4
0.385
WAR-XCH-6eb0722e-5
0.384
MAR-TRE-7f7bb9f0-16
0.383
KEI-TRE-d5e2018a-27
0.383
WAR-XCH-6eb0722e-2
0.382
MAR-TRE-2fd8122f-79
0.382
MAR-TRE-67513f76-81
0.381
CHR-SOS-f7373dd1-1
0.380
LON-WEI-b2874fec-25
0.379
MAR-TRE-f6f5f473-31
0.379
WAR-XCH-6eb0722e-4
0.379
KEI-TRE-d5e2018a-25
0.378
KEI-TRE-d5e2018a-29
0.378
KEI-TRE-d5e2018a-40
0.378
MAK-UNK-b2c98f02-5
0.378
WIL-UNI-5578df48-2
0.377
ADA-UNI-f8e79267-10
0.376
MAK-UNK-ca11b4f7-3
0.375
WAR-XCH-6eb0722e-1
0.375
WAR-XCH-6eb0722e-3
0.374
DAN-RED-da448e80-17
0.373
MAK-UNK-f0bfc2e0-2
0.373
KEI-TRE-d5e2018a-16
0.372
MAR-TRE-3e4e6814-93
0.372
SAN-PRS-52b81272-3
0.371
MAK-UNK-c44f4be0-11
0.370
MAK-UNK-ca11b4f7-1
0.369
KEI-TRE-d5e2018a-19
0.369
MAR-TRE-7f7bb9f0-49
0.368
BEN-DND-93268d01-3
0.368
MAR-TRE-2fd8122f-56
0.368
BEN-DND-93268d01-2
0.367
MAR-TRE-04c86cea-97
0.367
JIA-UNI-12b1f9ae-1
0.367
MAR-TRE-2fd8122f-69
0.367
MAK-UNK-f0bfc2e0-3
0.367
BEN-DND-03406596-12
0.366
BEN-DND-93268d01-1
0.366
BEN-DND-03406596-11
0.366
BEN-DND-03406596-4
0.366
MAK-UNK-a7b37c5e-1
0.365
PET-SGC-d5b502b1-1
0.365
WIL-WAB-6ef46ddb-1
0.365
WIL-UNI-5578df48-1
0.364
MAR-TRE-9c797165-52
0.362
MAK-UNK-f0bfc2e0-1
0.361
EMI-TUK-a58865cc-4
0.361
KEI-TRE-d5e2018a-47
0.360
KEI-TRE-d5e2018a-76
0.360
KEI-TRE-d5e2018a-34
0.360
KEI-TRE-d5e2018a-80
0.360
MED-UNK-e6e8ef8a-7
0.360