Molecular Properties | |
SMILES: | CCNC(=O)Nc1ccc(OCC(=O)NC2CCCC2)nc1 |
MW: | 306.17 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 92.35 |
cLogP: | 1.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3707154063 |
MAR-TRE-9c797165-10
0.395
MAR-TRE-f6f5f473-87
0.391
MAR-TRE-4b834d9a-75
0.356
FAR-UNI-736b943a-6
0.323
MAR-TRE-67513f76-85
0.314
MAR-TRE-74c6519b-48
0.312
ALE-HEI-f28a35b5-8
0.308
MAR-TRE-f6f5f473-76
0.305
LON-WEI-120e5cf5-17
0.299
AAR-POS-5507155c-2
0.299
LON-WEI-120e5cf5-1
0.299
AAR-POS-f650c5f2-4
0.299
MAR-TRE-3159af1a-73
0.290
MAR-TRE-67513f76-24
0.289
AAR-UNI-c25c2f1e-96
0.286
MAR-TRE-f6f5f473-98
0.286
DAR-DIA-03336633-2
0.286
MAR-TRE-d0525fbf-99
0.284
MAR-TRE-3e4e6814-96
0.281
MAR-TRE-fd17a9b8-96
0.277
MAR-TRE-4b834d9a-78
0.276
MAR-TRE-3e4e6814-74
0.276
MAR-TRE-3e4e6814-57
0.274
MAK-UNK-f2409524-16
0.272
MAR-TRE-b77b7921-35
0.272
PET-SGC-c429dc17-1
0.272
CES-WAB-18e74d70-1
0.272
MAK-UNK-f2409524-18
0.271
MAR-TRE-3159af1a-49
0.271
MAK-UNK-c8c8f7e2-17
0.271
SIM-DEM-2843056b-6
0.270
HAN-NEW-5f56c3bc-3
0.270
DAR-DIA-03336633-1
0.270
SAD-SAT-edc8a235-1
0.269
AAR-POS-d2a4d1df-12
0.268
TRY-UNI-714a760b-11
0.268
ALE-HEI-f28a35b5-7
0.268
MAR-TRE-d0525fbf-87
0.267
MAK-UNK-90d0606b-10
0.266
MAR-TRE-67513f76-90
0.264
LON-WEI-af038623-1
0.263
TRY-UNI-714a760b-7
0.262
AAR-UNI-c25c2f1e-45
0.261
MAR-TRE-7f7bb9f0-68
0.261
MAK-UNK-f2409524-31
0.260
MAK-UNK-f2409524-32
0.260
MAK-UNK-f2409524-15
0.258
MAK-UNK-f2409524-33
0.257
MAR-TRE-04c86cea-84
0.256
MAK-UNK-f2409524-14
0.255
DAR-DIA-03336633-7
0.255
FRA-FAC-9ed5a63a-3
0.253
MAR-TRE-67513f76-47
0.253
MAK-UNK-f2409524-19
0.253
MAR-TRE-67513f76-48
0.253
MAR-TRE-b77b7921-13
0.252
MAR-TRE-b77b7921-18
0.252
MAR-TRE-f6f5f473-37
0.250
SID-ELM-b654bfa2-8
0.250
MAK-UNK-f2409524-20
0.250
MAR-TRE-67513f76-14
0.250
MAK-UNK-f2409524-3
0.250
DAR-DIA-03336633-5
0.248
MAR-TRE-f6f5f473-39
0.247
AAR-UNI-c25c2f1e-3
0.247
MAR-TRE-9c797165-86
0.247
MAR-TRE-74c6519b-69
0.247
MAR-TRE-f6f5f473-67
0.245
AAR-UNI-c25c2f1e-69
0.245
MAR-TRE-3e4e6814-75
0.245
MAK-UNK-f2409524-2
0.245
MAR-TRE-4b834d9a-64
0.244
MAR-TRE-67513f76-96
0.244
GIA-UNK-3f36037a-3
0.244
DAR-DIA-03336633-6
0.243
MAR-TRE-74c6519b-90
0.242
MAR-TRE-f6f5f473-77
0.242
MAR-TRE-14ce9fd6-1
0.242
MAR-TRE-3e4e6814-58
0.242
MAR-TRE-9c797165-58
0.242
MAR-TRE-67513f76-3
0.242
MAR-TRE-3e4e6814-9
0.241
DAR-DIA-03336633-3
0.241
MAR-TRE-04c86cea-62
0.240
MAK-UNK-f2409524-7
0.240
MAR-TRE-74c6519b-71
0.240
MAR-TRE-04c86cea-19
0.239
MAR-TRE-f6f5f473-80
0.239
MAR-TRE-f6f5f473-28
0.239
MAR-TRE-9c797165-84
0.239
MAR-TRE-04c86cea-85
0.239
MAR-TRE-7f7bb9f0-86
0.239
MAR-TRE-67513f76-74
0.238
MAR-TRE-74c6519b-3
0.238
MAK-UNK-b2c98f02-3
0.238
ZAC-WAB-b0242612-1
0.237
YOI-UNK-4c10088f-1
0.237
SIM-SYN-a98e6a07-2
0.237
JON-UNI-2a110085-6
0.237
ASH-UNK-40b46b30-13
0.237