Molecular Properties | |
SMILES: | O=C(N[C@H](C(=O)Nc1cccnc1)c1cccc(Cl)c1)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 |
MW: | 456.16 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 2.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAT-POS-a13804f0-4
PET-UNK-ac320b15-4
1.000
MAT-POS-7174c657-6
0.647
MAT-POS-8293a91a-7
0.647
EDJ-MED-ee07cf00-11
0.647
MAT-POS-7174c657-5
0.647
MAT-POS-a13804f0-4
0.647
PET-UNK-ac320b15-5
0.647
PET-UNK-ac320b15-6
0.647
PET-UNK-ac320b15-7
0.647
PET-UNK-ac320b15-8
0.647
PET-UNK-ac320b15-9
0.647
PET-UNK-ac320b15-10
0.647
MAT-POS-8293a91a-2
0.647
MAT-POS-8293a91a-6
0.647
PET-UNK-1320d94d-5
0.612
PET-UNK-1320d94d-6
0.612
PET-UNK-1320d94d-9
0.565
PET-UNK-1320d94d-10
0.565
PET-UNK-1320d94d-4
0.541
PET-UNK-1320d94d-3
0.541
PET-UNK-ac320b15-2
0.509
PET-UNK-ac320b15-1
0.509
ALP-POS-a9ad2217-1
0.500
PET-UNK-1320d94d-8
0.491
PET-UNK-1320d94d-7
0.491
PET-UNK-1320d94d-16
0.469
PET-UNK-1320d94d-15
0.469
EDJ-MED-cf4b0d25-2
0.449
PET-UNK-1320d94d-2
0.442
PET-UNK-1320d94d-1
0.442
PET-UNK-1320d94d-19
0.436
PET-UNK-1320d94d-20
0.436
PET-UNK-10339a1d-1
0.425
ALP-POS-a9ad2217-2
0.425
ADA-UNI-f8e79267-11
0.418
PET-UNK-1320d94d-14
0.417
PET-UNK-1320d94d-13
0.417
ADA-UNI-f8e79267-10
0.410
ADA-UNI-f8e79267-8
0.398
PET-UNK-1320d94d-26
0.397
PET-UNK-1320d94d-25
0.397
EDJ-MED-cf4b0d25-3
0.389
PET-UNK-1320d94d-29
0.384
PET-UNK-1320d94d-30
0.384
ADA-UNI-f8e79267-7
0.381
PET-UNK-1320d94d-17
0.370
PET-UNK-1320d94d-18
0.370
PET-UNK-1320d94d-27
0.355
PET-UNK-1320d94d-28
0.355
EDJ-MED-ee07cf00-6
0.354
EDJ-MED-ee07cf00-4
0.353
EDJ-MED-cf4b0d25-1
0.352
PET-UNK-1320d94d-23
0.352
PET-UNK-1320d94d-24
0.352
KEI-TRE-d5e2018a-19
0.350
CHR-SOS-7098f804-12
0.348
EDG-MED-0da5ad92-2
0.340
MED-UNK-e6e8ef8a-7
0.340
JOR-UNI-2fc98d0b-7
0.337
JAN-GHE-83b26c96-19
0.337
WAR-XCH-eb7b662f-7
0.337
DAR-DIA-23aa0b97-14
0.337
LON-WEI-120e5cf5-11
0.337
ADA-UNI-f8e79267-12
0.337
JOR-UNI-2fc98d0b-3
0.336
MAT-POS-24589f88-11
0.336
ALP-UNI-dbbfd3db-6
0.336
MAR-TRE-2fd8122f-88
0.333
MAR-TRE-d0525fbf-84
0.330
JOR-UNI-2fc98d0b-16
0.330
JOH-IMS-62aeb97d-3
0.330
SAD-SAT-135344c3-8
0.327
KEI-TRE-d5e2018a-16
0.327
MED-UNK-e6e8ef8a-1
0.326
PET-UNK-1320d94d-11
0.325
PET-UNK-1320d94d-12
0.325
JOR-UNI-2fc98d0b-1
0.324
JOR-UNI-2fc98d0b-17
0.324
JOR-UNI-2fc98d0b-8
0.324
EDJ-MED-ee07cf00-13
0.323
MAT-POS-a13804f0-1
0.323
JOR-UNI-2fc98d0b-9
0.322
MAR-TRE-2fd8122f-16
0.321
EDJ-MED-cf4b0d25-4
0.321
JOR-UNI-2fc98d0b-14
0.319
JOR-UNI-2fc98d0b-6
0.319
JOR-UNI-2fc98d0b-13
0.319
ADA-UNI-f8e79267-9
0.318
MAT-POS-d8472c4f-2
0.317
MAR-TRE-2fd8122f-90
0.317
JOR-UNI-2fc98d0b-12
0.315
MAR-TRE-2fd8122f-96
0.315
MAR-TRE-04c86cea-17
0.315
FRA-FAC-9ed5a63a-4
0.313
JOR-UNI-2fc98d0b-15
0.313
EDJ-MED-ee07cf00-14
0.313
JOR-UNI-2fc98d0b-4
0.312
JAN-GHE-d851b096-2
0.311
MAR-TRE-3e4e6814-54
0.309
JOH-IMS-62aeb97d-4
0.309