Molecular Properties | |
SMILES: | COc1ccc(C2(CC(=O)N3CCC(C(N)=O)CC3)CCCCC2)cc1 |
MW: | 358.482 |
Fraction sp3: | 0.62 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.63 |
cLogP: | 3.0111 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-750cfbcc-1
0.369
AAR-POS-0daf6b7e-18
0.312
MAR-TRE-fd17a9b8-65
0.306
MAR-TRE-e86a56b5-8
0.284
ANT-STE-dbb91f63-1
0.283
SAD-SAT-29425be4-28
0.283
CLI-UNI-032f7715-3
0.282
MAR-TRE-e86a56b5-12
0.279
AAR-POS-0daf6b7e-32
0.278
MAK-UNK-7c9d1431-17
0.277
MAR-TRE-6a44bbf2-77
0.277
MEL-NAT-8c3652c8-6
0.274
CHR-SOS-f7373dd1-1
0.270
MAR-TRE-fd17a9b8-50
0.269
MAR-TRE-fd17a9b8-4
0.269
YOI-UNK-15f562e8-2
0.268
MAR-TRE-fd17a9b8-47
0.267
LON-WEI-120e5cf5-17
0.264
AAR-POS-5507155c-2
0.264
LON-WEI-120e5cf5-1
0.264
AAR-POS-f650c5f2-4
0.264
MAT-POS-ea426761-92
0.264
MAK-UNK-750cfbcc-5
0.263
DRA-CSI-47e38074-13
0.261
WAR-XCH-79d12f6e-7
0.259
JOH-UNK-14e6adc5-7
0.258
LON-WEI-120e5cf5-3
0.258
SAD-SAT-29425be4-11
0.258
MAR-TRE-fd17a9b8-22
0.258
NIM-UNI-310206f0-48
0.257
LON-WEI-120e5cf5-10
0.256
YOI-UNK-12211982-2
0.256
YOI-UNK-a533afbc-2
0.256
MAR-TRE-6a44bbf2-82
0.256
SAD-SAT-29425be4-13
0.255
MAR-TRE-67513f76-53
0.255
AAR-POS-fca48359-4
0.255
MAK-UNK-a7992eb3-9
0.255
DAV-UNK-07f953a2-2
0.255
NIM-UNI-05f93fcc-15
0.253
DAN-MCD-0c04f563-1
0.252
MAK-UNK-7c9d1431-19
0.250
SAD-SAT-65574d3f-6
0.250
JAG-UCB-ef2c0e8e-8
0.250
GIA-UNK-4de5abb1-5
0.250
PEI-IMP-668afc53-1
0.250
MAK-UNK-c97f7c8f-1
0.250
DRA-CSI-47e38074-6
0.247
NIM-UNI-13494739-8
0.247
LON-WEI-120e5cf5-5
0.247
LON-WEI-120e5cf5-20
0.247
GIA-UNK-5ec6c2b8-5
0.247
VIR-GIT-7b3d3065-2
0.247
AAR-POS-0daf6b7e-9
0.247
MAR-TRE-fd17a9b8-11
0.245
NIM-UNI-310206f0-11
0.245
JON-CHE-41f76505-1
0.245
MAR-TRE-fd17a9b8-6
0.245
MAK-UNK-c97f7c8f-2
0.244
PEI-IMP-ca0b2813-3
0.244
JAG-SYN-9c2cd0bd-8
0.244
MAK-UNK-3f402c2b-27
0.244
BEN-DND-031a96cc-6
0.243
CHR-GRO-51f79798-3
0.242
JON-CHE-41f76505-2
0.242
STU-CHA-07310c75-1
0.242
JUL-TUD-06b2044f-114
0.242
MAR-TRE-6a44bbf2-45
0.242
MAK-UNK-7c9d1431-30
0.242
MAR-TRE-6a44bbf2-15
0.241
AAR-POS-0daf6b7e-6
0.241
AAR-POS-0daf6b7e-19
0.241
VIR-GIT-7b3d3065-3
0.241
MAK-UNK-750cfbcc-2
0.240
MAR-TRE-fd17a9b8-3
0.240
WAR-XCH-79d12f6e-5
0.240
MAK-UNK-3d7e3904-1
0.239
MAR-TRE-f5c2d31c-48
0.239
SAD-SAT-d8079f6f-5
0.239
SAD-SAT-5b1897b2-5
0.239
SAD-SAT-29425be4-26
0.238
MAT-POS-ea426761-79
0.238
SAD-SAT-29425be4-23
0.237
NIM-UNI-13494739-11
0.237
MAR-TRE-6a44bbf2-79
0.237
MAK-UNK-750cfbcc-3
0.237
DUN-NEW-f8ce3686-3
0.237
MAK-UNK-3d7e3904-2
0.237
CHR-SOS-f7373dd1-2
0.236
LON-WEI-120e5cf5-16
0.236
MAK-UNK-ec98eaf6-57
0.235
SAD-SAT-d8079f6f-6
0.235
WAR-XCH-72a8c209-2
0.235
LON-WEI-120e5cf5-15
0.235
MAR-TRE-6a44bbf2-86
0.235
PEI-IMP-668afc53-2
0.235
JAR-IMP-ed466bb3-20
0.234
MAT-POS-162a9720-11
0.234
CHR-SOS-f7373dd1-4
0.233
DAN-MCD-881986d8-1
0.233