Molecular Properties | |
SMILES: | O=C(CCCN1C(=O)CSc2ncccc21)NCc1cccc(Cl)c1 |
MW: | 375.08 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 3.27 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2169140386 |
MolPort: | MolPort-007-676-982 |
Long aliphatic chain
MAR-TRE-3e4e6814-84
0.732
MAR-TRE-74c6519b-98
0.686
MAR-TRE-d0525fbf-80
0.663
MAR-TRE-3e4e6814-97
0.615
MAR-TRE-9c797165-64
0.585
MAR-TRE-9c797165-50
0.564
MAR-TRE-4b834d9a-94
0.515
MAR-TRE-d0525fbf-52
0.451
MAR-TRE-67513f76-19
0.430
MAR-TRE-9c797165-29
0.417
MAR-TRE-d0525fbf-69
0.413
MAR-TRE-4b834d9a-68
0.411
MAR-TRE-4b834d9a-70
0.404
MAR-TRE-74c6519b-93
0.400
MAR-TRE-4b834d9a-53
0.398
MAR-TRE-4b834d9a-22
0.393
MAR-TRE-67513f76-29
0.392
TRY-UNI-1fd04853-5
0.385
MAR-TRE-7f7bb9f0-88
0.377
MAR-TRE-f6f5f473-96
0.360
MAR-TRE-4b834d9a-10
0.360
MAR-TRE-4b834d9a-12
0.358
MAR-TRE-b77b7921-8
0.354
MAR-TRE-d0525fbf-6
0.345
MAT-POS-3b92565d-13
0.340
JIN-POS-6dc588a4-2
0.337
MAR-TRE-b77b7921-99
0.330
DAR-DIA-6a49afbe-1
0.323
NIC-BIO-3276ca7f-6
0.321
ALP-POS-76eab5ce-2
0.310
ALP-POS-6495d03e-7
0.307
AGN-NEW-c7b24fe3-1
0.306
MAR-TRE-b77b7921-89
0.301
MAR-TRE-9c797165-54
0.300
EDG-MED-0da5ad92-18
0.299
JAG-UCB-ef2c0e8e-5
0.298
NIM-NMI-8bb27a2b-14
0.298
MAR-TRE-b77b7921-47
0.298
RUB-POS-1325a9ea-23
0.297
ALP-POS-90e38439-1
0.297
NAU-LAT-a5c7d7cb-13
0.297
MAT-POS-4211dce8-1
0.297
VLA-UCB-1dbca3b4-1
0.297
MAR-TRE-67513f76-10
0.294
EDG-MED-0da5ad92-14
0.292
EDJ-MED-49816e9b-3
0.292
EDJ-MED-6e43a462-4
0.291
JIN-POS-6dc588a4-15
0.291
MIC-UNK-b12b7f76-2
0.290
JAN-GHE-5a013bed-5
0.289
EDJ-MED-6e43a462-10
0.288
MIC-UNK-08cd9c58-1
0.288
MAT-POS-f7918075-3
0.288
MAR-TRE-4b834d9a-3
0.288
MAR-TRE-d0525fbf-22
0.288
MAT-POS-500ca5bf-2
0.287
MIC-UNK-42806bd5-1
0.287
ALP-POS-90e38439-2
0.287
NIC-BIO-a68395b7-4
0.287
JIN-POS-6dc588a4-19
0.287
JOH-UNI-6fede743-3
0.287
MAT-POS-bb423b95-6
0.287
MAT-POS-bfb445d4-2
0.287
MAR-TRE-b77b7921-11
0.284
MAK-UNK-af83ef51-31
0.284
EDJ-MED-6e43a462-9
0.284
VLA-UNK-411a133b-2
0.284
NIC-BIO-7d400292-3
0.283
BEN-DND-1e24cf73-5
0.283
VLA-UNK-4cf5aa07-1
0.283
AAR-UNI-c25c2f1e-78
0.283
AGN-NEW-c7b24fe3-5
0.283
AGN-NEW-c7b24fe3-4
0.283
PET-UNK-158bee2a-1
0.283
MAR-TRE-f6f5f473-93
0.282
MAR-TRE-4b834d9a-2
0.282
JIN-POS-6dc588a4-17
0.282
EDJ-MED-6e43a462-7
0.282
NAU-LAT-a5c7d7cb-11
0.282
JOH-UNI-6fede743-4
0.282
EDJ-MED-c8e7a002-14
0.282
EDG-MED-0da5ad92-13
0.281
EDJ-MED-49816e9b-2
0.281
JAN-GHE-5a013bed-4
0.281
VLA-UNK-411a133b-1
0.281
NAU-LAT-e1818702-7
0.281
JAG-UCB-a3ef7265-17
0.281
JAG-UCB-a3ef7265-15
0.281
PET-UNK-8df914d1-4
0.281
VLA-UNK-4cf5aa07-2
0.280
JAN-GHE-f4ca5a00-12
0.280
NAU-LAT-e1818702-1
0.280
PET-UNK-158bee2a-2
0.280
JAN-GHE-5a013bed-6
0.280
EDJ-MED-6e43a462-5
0.279
JAN-GHE-5a013bed-3
0.279
JIN-POS-6dc588a4-16
0.279
PET-UNK-bbe8d7ff-1
0.279
NAU-LAT-a5c7d7cb-14
0.279
ROB-UNI-daaf9793-2
0.279