Molecular Properties | |
SMILES: | O=C(NCCCCNC(=O)C1CCCCC1)N[C@@H]1CCc2ccccc21 |
MW: | 357.24 |
Fraction sp3: | 0.62 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 70.23 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
AAR-UNI-c25c2f1e-95
0.378
AAR-UNI-c25c2f1e-88
0.372
ANT-OPE-7c194559-1
0.314
MAK-UNK-f2409524-9
0.306
MAK-UNK-f2409524-15
0.303
AAR-UNI-c25c2f1e-3
0.295
LON-WEI-5e7d1b3e-42
0.287
LON-WEI-4d77710c-42
0.287
AAR-UNI-c25c2f1e-1
0.279
JUL-TUD-06b2044f-157
0.277
MAR-TRE-04c86cea-77
0.269
RUB-POS-1325a9ea-21
0.265
AAR-POS-d2a4d1df-12
0.261
RUB-POS-1325a9ea-20
0.260
PET-UNK-f92d7c0c-2
0.260
PET-UNK-f92d7c0c-8
0.260
MAK-UNK-f2409524-3
0.258
SAD-SAT-29425be4-15
0.258
RUB-POS-1325a9ea-6
0.255
ANT-OPE-7b52af4b-1
0.255
DAV-IMP-59dd6621-15
0.253
PET-SGC-c429dc17-1
0.253
CES-WAB-18e74d70-1
0.253
MAR-TRE-9c797165-7
0.248
IND-SYN-6c8299e8-10
0.247
DAR-DIA-03336633-2
0.243
HAN-NEW-5f56c3bc-3
0.241
DAR-DIA-03336633-1
0.241
AAR-UNI-c25c2f1e-69
0.240
RUB-POS-1325a9ea-7
0.240
MAK-UNK-f2409524-10
0.239
GIA-UNK-d2defdc3-1
0.239
MAT-POS-2492181e-10
0.239
DAR-DIA-03336633-7
0.239
MAK-UNK-f2409524-36
0.238
DAR-DIA-03336633-3
0.237
LON-WEI-af038623-1
0.233
ZAC-WAB-b0242612-1
0.233
MAT-POS-2492181e-2
0.232
ALI-DIA-59c2fdb0-6
0.231
DAR-DIA-03336633-5
0.231
MAR-TRE-04c86cea-82
0.230
DAV-CRI-3fe943ba-1
0.229
MAR-TRE-9d18ae8c-16
0.229
ALP-POS-e980f4ea-23
0.228
PET-SGC-a9e9d4f4-1
0.228
AAR-UNI-c25c2f1e-96
0.228
DAV-CRI-3fe943ba-2
0.227
MAR-TRE-d0525fbf-87
0.227
RAI-NOV-a7d52b4a-3
0.226
WIL-UNI-1faa9b10-35
0.226
MAT-POS-b5746674-98
0.225
LON-WEI-4d77710c-7
0.225
LON-WEI-5e7d1b3e-7
0.225
MAT-POS-162a9720-6
0.225
AAR-UNI-c25c2f1e-92
0.223
MAT-POS-ea426761-90
0.223
BRU-THA-92256091-45
0.223
JUL-TUD-06b2044f-40
0.222
ALI-DIA-59c2fdb0-8
0.222
COM-UCB-8c7d23dc-17
0.222
MAK-UNK-f2409524-16
0.221
GIA-UNK-d2defdc3-3
0.221
SHA-THE-408e7524-22
0.220
WIL-UNI-5578df48-17
0.220
ROD-LAS-d5538ff9-3
0.220
ALP-POS-ced8ea4d-23
0.220
DAV-ILL-89eb723b-1
0.218
JAR-IMP-ed466bb3-17
0.218
ROB-UNI-daaf9793-2
0.218
NAU-LAT-a5c7d7cb-14
0.218
DAR-DIA-03336633-6
0.217
ALI-DIA-59c2fdb0-5
0.217
EDJ-MED-40e596c8-3
0.217
AAR-UNI-c25c2f1e-6
0.217
MAK-UNK-f2409524-4
0.217
DAV-ILL-03f0d021-1
0.216
ALI-DIA-59c2fdb0-9
0.216
MAK-UNK-f2409524-14
0.215
RUB-POS-1325a9ea-16
0.214
TAM-UNI-d1c3dd9f-8
0.214
ALP-POS-8b8a49e1-6
0.214
MAR-TRE-3e4e6814-51
0.214
MAR-TRE-f6f5f473-77
0.214
JAG-UCB-c61058a9-15
0.214
ALP-POS-e980f4ea-29
0.213
MAK-UNK-3d7e3904-3
0.212
ALI-DIA-59c2fdb0-7
0.211
DAR-DIA-03336633-14
0.211
DAR-DIA-03336633-4
0.210
NIR-THE-c331be7a-1
0.210
MIH-UNI-e573136b-11
0.210
NIR-THE-c331be7a-6
0.210
MAK-UNK-f2409524-17
0.210
JAR-IMP-ed466bb3-2
0.210
BRU-THA-92256091-35
0.209
RED-RED-10c9212c-55
0.209
RAI-NOV-a7d52b4a-1
0.207
PET-UNK-f92d7c0c-4
0.207
PET-UNK-f92d7c0c-5
0.207