Molecular Properties | |
SMILES: | CN1CCN(CC(=O)Nc2ccc(Cc3cccc(C(N)=O)c3)nc2)CC1 |
MW: | 367.2 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 91.56 |
cLogP: | 0.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5581922589 |
MolPort: | MolPort-023-296-995 |
MAR-TRE-04c86cea-34
0.789
MAR-TRE-3e4e6814-16
0.756
BEN-DND-93268d01-9
0.360
BEN-DND-09b88bf4-5
0.360
MAR-TRE-67513f76-73
0.360
MAR-TRE-d0525fbf-64
0.347
MAR-TRE-6a44bbf2-12
0.333
MAR-TRE-6a44bbf2-47
0.326
HAO-BIO-c9aafde3-3
0.321
JAN-GHE-1d98ec1c-7
0.319
ANN-UNI-98d2bf15-2
0.319
LON-WEI-b8d98729-4
0.319
SAD-SAT-135344c3-9
0.311
MAR-TRE-6a44bbf2-3
0.309
MAR-TRE-67513f76-24
0.306
MAR-TRE-9c797165-52
0.295
DAR-DIA-03336633-6
0.295
WIL-LEE-23e8b574-6
0.294
ANU-UNK-2781581f-1
0.294
RED-SAT-26a928c9-1
0.294
MAR-TRE-7f7bb9f0-26
0.294
BEN-DND-6de5dfa0-18
0.293
JOR-UNI-2fc98d0b-11
0.292
GAB-REV-df64cf17-1
0.290
SAD-SAT-135344c3-7
0.288
MAR-TRE-2fd8122f-30
0.288
JOR-UNI-61e7b1d5-29
0.287
BEN-DND-6de5dfa0-22
0.283
JOR-UNI-61e7b1d5-28
0.282
AAR-UNI-c25c2f1e-25
0.282
JOR-UNI-2fc98d0b-5
0.280
MAR-TRE-7f7bb9f0-76
0.280
BEN-DND-09b88bf4-6
0.278
BEN-DND-6de5dfa0-7
0.278
MAR-TRE-7f7bb9f0-20
0.277
TAM-UNI-c140e31a-13
0.276
MAR-TRE-74c6519b-46
0.276
TAM-UNI-c140e31a-1
0.275
MAR-TRE-67513f76-82
0.275
BEN-DND-09b88bf4-1
0.275
BEN-DND-6de5dfa0-2
0.275
BEN-DND-09b88bf4-7
0.271
TAM-UNI-c140e31a-7
0.271
SIM-DEM-2843056b-3
0.271
MAR-TRE-9c797165-2
0.271
JOR-UNI-61e7b1d5-14
0.270
MAR-TRE-b77b7921-63
0.270
ALE-HEI-f28a35b5-16
0.270
MAK-UNK-009ebe36-2
0.269
EDG-MED-0da5ad92-13
0.269
JAN-GHE-1d98ec1c-6
0.268
BEN-DND-09b88bf4-2
0.268
BEN-DND-03406596-7
0.268
BEN-DND-6de5dfa0-1
0.268
MAR-TRE-9c797165-60
0.267
MAR-TRE-67513f76-60
0.267
JOR-UNI-61e7b1d5-15
0.267
BEN-DND-93268d01-8
0.266
EDJ-MED-3c65e9ce-1
0.266
TAT-ENA-80bfd3e5-30
0.266
NAU-LAT-64f4b287-10
0.265
BEN-DND-6de5dfa0-16
0.265
NIR-THE-b7e8e081-2
0.265
MAR-TRE-d0525fbf-82
0.265
SIM-DEM-2843056b-6
0.264
LUI-IND-a1be81af-3
0.263
MAR-TRE-74c6519b-53
0.263
MAR-TRE-67513f76-3
0.263
MAR-TRE-0fda4e82-27
0.261
BEN-DND-6de5dfa0-23
0.261
MAR-TRE-3e4e6814-87
0.260
AAR-POS-0daf6b7e-44
0.259
BEN-DND-93268d01-11
0.258
WIL-UNI-1faa9b10-46
0.258
BEN-DND-6de5dfa0-3
0.258
NAU-LAT-3f5f3993-5
0.258
BEN-DND-09b88bf4-3
0.258
MAR-TRE-3e4e6814-66
0.257
BEN-DND-93268d01-10
0.255
BEN-DND-6de5dfa0-24
0.255
MAR-TRE-67513f76-99
0.255
NIR-THE-b7e8e081-1
0.255
MAR-TRE-3e4e6814-39
0.255
EDJ-MED-3c65e9ce-3
0.255
SIM-DEM-2843056b-7
0.255
MAR-TRE-a9136c7b-11
0.255
KEN-ILL-f8fa3277-4
0.253
MAR-TRE-7f7bb9f0-45
0.253
MAR-TRE-04c86cea-44
0.252
SAD-SAT-7d5528d9-2
0.252
NIM-UNI-02269248-2
0.252
MAK-UNK-176ca439-3
0.250
BEN-DND-6de5dfa0-19
0.250
NAU-LAT-a5c7d7cb-1
0.250
ALP-POS-6747fa38-1
0.250
VLA-UCB-05e51b3f-1
0.250
BEN-DND-6de5dfa0-11
0.250
MAR-TRE-4b834d9a-31
0.250
MAK-UNK-cd94b63c-1
0.250
MAR-TRE-74c6519b-52
0.250