Molecular Properties | |
SMILES: | O=C(O)CCCN(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 299.33 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 82.53 |
cLogP: | 2.9849 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EMI-TUK-a58865cc-7
0.803
EMI-TUK-a58865cc-4
0.697
EMI-TUK-a58865cc-6
0.632
WIL-UNI-5578df48-3
0.582
ASH-UNK-40b46b30-3
0.557
WIL-UNI-5578df48-2
0.541
ERI-UCB-ce40166b-23
0.487
WIL-UNI-5578df48-1
0.486
JOR-UNI-2fc98d0b-2
0.481
WIL-UNI-5578df48-4
0.466
JOR-UNI-2fc98d0b-8
0.462
JOR-UNI-61e7b1d5-7
0.457
JOR-UNI-61e7b1d5-9
0.439
EMI-TUK-a58865cc-2
0.436
EMI-TUK-a58865cc-3
0.434
EMI-TUK-a58865cc-1
0.430
JOR-UNI-2fc98d0b-10
0.425
JOR-UNI-2fc98d0b-12
0.424
ASH-UNK-40b46b30-9
0.423
JOR-UNI-2fc98d0b-11
0.419
JOR-UNI-2fc98d0b-17
0.419
MAK-UNK-f0bfc2e0-1
0.418
KEI-TRE-d5e2018a-81
0.416
JOR-UNI-61e7b1d5-26
0.411
JOR-UNI-2fc98d0b-13
0.409
JOR-UNI-61e7b1d5-18
0.409
JOR-UNI-2fc98d0b-6
0.409
KAY-MCD-59dc2eb3-1
0.406
WIL-UNI-5578df48-8
0.405
JOR-UNI-2fc98d0b-5
0.402
JOR-UNI-2fc98d0b-4
0.402
JOR-UNI-2fc98d0b-3
0.402
DAR-DIA-fc970077-9
0.400
JOR-UNI-2fc98d0b-15
0.400
AAR-POS-d2a4d1df-11
0.400
WIL-UNI-5578df48-6
0.400
JOR-UNI-61e7b1d5-28
0.400
JOR-UNI-61e7b1d5-30
0.400
SAN-PRS-52b81272-2
0.397
JOR-UNI-2fc98d0b-16
0.395
JOR-UNI-2fc98d0b-9
0.394
JOR-UNI-2fc98d0b-14
0.393
WJF-WAB-092bbb97-1
0.392
JOR-UNI-61e7b1d5-16
0.391
JOR-UNI-61e7b1d5-24
0.391
JOR-UNI-61e7b1d5-12
0.389
BEN-BAS-3b12fa42-1
0.389
MAR-TRE-67513f76-81
0.387
JOR-UNI-2fc98d0b-1
0.386
JOR-UNI-61e7b1d5-5
0.385
JOR-UNI-61e7b1d5-14
0.385
SIM-SYN-a98e6a07-2
0.383
ALE-HEI-f28a35b5-14
0.382
AUS-ARG-7cfdce8f-11
0.380
JOR-UNI-61e7b1d5-10
0.378
SAN-PRS-52b81272-3
0.377
JOR-UNI-61e7b1d5-22
0.376
MAK-UNK-ca11b4f7-1
0.375
JOH-IMS-62aeb97d-5
0.375
MAR-TRE-04c86cea-97
0.372
SAD-SAT-24589cd1-4
0.371
JOH-IMS-62aeb97d-2
0.370
JOR-UNI-61e7b1d5-3
0.370
JOR-UNI-61e7b1d5-20
0.367
MAR-TRE-2fd8122f-27
0.366
WIL-UNI-5578df48-7
0.364
CHR-SOS-70e4c98a-6
0.364
ADA-UNI-f8e79267-4
0.362
ALE-HEI-f28a35b5-15
0.362
MAC-MCD-76766525-1
0.360
MAK-UNK-a7b37c5e-2
0.360
MAK-UNK-ca11b4f7-2
0.359
MAK-UNK-ca11b4f7-3
0.359
CHR-SOS-f7373dd1-4
0.359
JOR-UNI-61e7b1d5-8
0.359
MAR-TRE-4b834d9a-49
0.357
CHR-SOS-70e4c98a-8
0.354
ADA-UNI-f8e79267-5
0.354
KEI-TRE-d5e2018a-92
0.353
MAR-TRE-2fd8122f-79
0.351
CHR-SOS-f7373dd1-1
0.350
CHR-SOS-59746812-1
0.350
WIL-UNI-5578df48-5
0.350
KEI-TRE-d5e2018a-71
0.348
MAK-UNK-a7b37c5e-4
0.347
MED-UNK-e6e8ef8a-5
0.347
CHR-SOS-70e4c98a-3
0.346
CHR-SOS-59746812-5
0.346
BEN-DND-362d364a-12
0.346
PET-SGC-b0f8bd49-1
0.346
DRE-WAB-ae4a693c-1
0.346
PET-SGC-d0156db4-1
0.346
KEI-TRE-d5e2018a-55
0.345
ADA-UNI-f8e79267-1
0.345
MAK-UNK-a7b37c5e-5
0.342
DAR-DIA-fc970077-14
0.342
MAR-TRE-74c6519b-47
0.342
KEI-TRE-d5e2018a-24
0.341
ISA-SCH-8e98219b-1
0.338
SAD-SAT-689b7d5a-4
0.338