Molecular Properties | |
SMILES: | O=C(COCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1cccnc1 |
MW: | 388.13 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 74.77 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6832385173 |
MolPort: | MolPort-002-954-360 |
Long aliphatic chain
MAR-TRE-7f7bb9f0-58
0.671
SAD-SAT-135344c3-8
0.612
SAD-SAT-65574d3f-9
0.493
MAR-TRE-a9136c7b-76
0.435
EDG-MED-0da5ad92-2
0.427
MAK-UNK-de8f6d00-2
0.402
THO-SYG-f9b2970d-2
0.389
MAT-POS-8fd29122-2
0.386
DAR-DIA-23aa0b97-16
0.381
UNK-UNK-2ede4078-93
0.374
DAR-DIA-23aa0b97-14
0.373
JOR-UNI-2fc98d0b-7
0.373
JAN-GHE-83b26c96-19
0.373
WAR-XCH-eb7b662f-7
0.373
LON-WEI-120e5cf5-11
0.371
MAR-TRE-9c797165-94
0.370
UNK-UNK-2ede4078-76
0.370
CHR-SOS-7098f804-12
0.369
JOH-IMS-62aeb97d-5
0.368
WIL-UNI-1faa9b10-8
0.368
MAK-UNK-ca11b4f7-1
0.368
MAK-UNK-c749d764-27
0.368
JOR-UNI-2fc98d0b-1
0.366
MAK-UNK-a7b37c5e-4
0.361
SAD-SAT-5b1897b2-4
0.361
MAT-POS-54c4bf04-3
0.361
MAR-TRE-2fd8122f-39
0.361
ADA-UNI-f8e79267-10
0.361
JOR-UNI-2fc98d0b-16
0.360
MAR-TRE-67513f76-81
0.360
ALE-HEI-f28a35b5-16
0.357
MAR-TRE-67513f76-73
0.356
ADA-UNI-f8e79267-12
0.354
ADA-UNI-f8e79267-11
0.354
JOR-UNI-2fc98d0b-5
0.353
JOR-UNI-2fc98d0b-17
0.353
JOR-UNI-2fc98d0b-11
0.353
SAD-SAT-cefd50cc-7
0.352
MAR-TRE-7f7bb9f0-74
0.352
MAR-TRE-3e4e6814-50
0.352
MAR-TRE-9c797165-14
0.351
MAT-POS-450cb4f9-2
0.350
MAR-TRE-67513f76-93
0.348
MAR-TRE-9c797165-52
0.348
KEI-TRE-d5e2018a-14
0.347
ADA-UNI-f8e79267-7
0.347
JOR-UNI-2fc98d0b-14
0.346
MAK-UNK-de8f6d00-3
0.345
DAR-DIA-842b4336-11
0.345
MED-UNK-e6e8ef8a-6
0.345
PET-UNK-82544c07-1
0.344
KEI-TRE-d5e2018a-6
0.343
MAR-TRE-2fd8122f-9
0.343
MAR-TRE-7f7bb9f0-84
0.343
THO-SYG-f9b2970d-6
0.343
BEN-VAN-ed886787-14
0.342
ALE-HEI-f28a35b5-14
0.341
NIL-NON-a189c016-1
0.341
MAT-POS-162a9720-2
0.341
DAR-DIA-842b4336-16
0.341
CHR-SOS-7098f804-11
0.341
JOR-UNI-2fc98d0b-8
0.340
THO-SYG-f9b2970d-1
0.340
JOR-UNI-2fc98d0b-3
0.340
JOR-UNI-2fc98d0b-4
0.340
JOR-UNI-2fc98d0b-15
0.340
MAR-TRE-7f7bb9f0-49
0.337
SAD-SAT-135344c3-7
0.337
ADA-UNI-f8e79267-8
0.337
KEI-TRE-d5e2018a-67
0.337
MAK-UNK-a7b37c5e-1
0.333
SAD-SAT-24589cd1-4
0.333
JOR-UNI-2fc98d0b-10
0.333
JOR-UNI-2fc98d0b-13
0.333
MAR-TRE-2fd8122f-2
0.333
ALE-HEI-f28a35b5-9
0.333
ADA-UNI-f8e79267-9
0.333
JOR-UNI-2fc98d0b-6
0.333
CHR-SOS-7098f804-14
0.333
MAR-TRE-7f7bb9f0-97
0.333
AAR-POS-d2a4d1df-13
0.333
FRA-FAC-9ed5a63a-1
0.333
MAR-TRE-3e4e6814-65
0.333
MAR-TRE-f6f5f473-46
0.333
KEI-TRE-d5e2018a-45
0.333
MAK-UNK-c749d764-17
0.333
PET-UNK-ac320b15-3
0.330
PET-UNK-ac320b15-4
0.330
JOR-UNI-2fc98d0b-12
0.330
CHR-SOS-54d5cf3e-8
0.330
KEI-TRE-d5e2018a-16
0.330
MAR-TRE-d0525fbf-64
0.330
MAR-TRE-67513f76-13
0.330
AGN-NEW-891393a6-2
0.330
MAR-TRE-2fd8122f-57
0.330
ALE-HEI-f28a35b5-5
0.330
DAR-DIA-842b4336-12
0.330
DAR-DIA-842b4336-13
0.330
DAR-DIA-23aa0b97-15
0.329
MAR-TRE-2fd8122f-19
0.327