Molecular Properties | |
SMILES: | CCc1cc(NC2CCCCC2)c2c(c1)c(CN(C)C)cn2S(=O)(=O)N1CCCCC1 |
MW: | 446.661 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 57.58 |
cLogP: | 4.5887 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-1
0.616
DAR-DIA-eace69ff-17
0.571
DAR-DIA-eace69ff-6
0.521
DAR-DIA-eace69ff-24
0.432
DAR-DIA-eace69ff-16
0.354
DAR-DIA-eace69ff-13
0.350
DAR-DIA-eace69ff-4
0.346
DAR-DIA-eace69ff-15
0.336
DAR-DIA-eace69ff-11
0.336
DAR-DIA-eace69ff-14
0.324
DAR-DIA-eace69ff-10
0.324
DAR-DIA-eace69ff-9
0.311
DAR-DIA-eace69ff-12
0.298
DAR-DIA-eace69ff-2
0.295
DAR-DIA-eace69ff-7
0.282
DAR-DIA-eace69ff-27
0.276
DAR-DIA-eace69ff-19
0.273
DAR-DIA-eace69ff-29
0.268
DAR-DIA-eace69ff-3
0.265
DAR-DIA-eace69ff-18
0.263
DAR-DIA-eace69ff-25
0.255
DAR-DIA-eace69ff-28
0.255
DAR-DIA-eace69ff-8
0.250
DAR-DIA-eace69ff-20
0.238
AHN-SAT-de2502ba-10
0.235
MAR-TRE-f6f5f473-35
0.234
JAR-KUA-41bd5a3d-11
0.226
NIR-THE-0d6461ce-7
0.215
DAR-DIA-eace69ff-34
0.213
DAN-MCD-881986d8-1
0.212
AHN-SAT-de2502ba-18
0.212
MAR-TRE-be9ff7d2-42
0.210
MAK-UNK-f2409524-3
0.210
MAK-UNK-c97f7c8f-2
0.208
MAK-UNK-f2409524-8
0.207
DAR-DIA-eace69ff-22
0.206
MAR-TRE-04c86cea-68
0.205
DAR-DIA-eace69ff-23
0.204
MAK-UNK-69bf97dd-1
0.204
SAD-SAT-2fd372d1-3
0.202
MAK-UNK-69bf97dd-9
0.202
TOM-OIS-cbf37265-3
0.202
DAR-DIA-03336633-12
0.202
MAR-TRE-6a44bbf2-30
0.200
AHN-SAT-de2502ba-2
0.200
AHN-SAT-de2502ba-17
0.200
DAR-DIA-eace69ff-26
0.200
MAK-UNK-8fdbca50-23
0.200
NIC-UNI-f08e2453-2
0.200
MAT-POS-b5746674-5
0.200
DAR-DIA-03336633-6
0.198
MAK-UNK-f2409524-26
0.198
TOM-OIS-cbf37265-2
0.198
LON-WEI-b8d98729-34
0.198
ANT-OPE-47f3bb65-1
0.198
NIR-THE-0d6461ce-3
0.197
MAK-UNK-69bf97dd-7
0.196
MAR-TRE-3159af1a-49
0.196
MAK-UNK-f2409524-12
0.195
ROM-UNK-ef52a3c9-3
0.195
PET-SGC-c429dc17-1
0.194
CES-WAB-18e74d70-1
0.194
JAG-UCB-ef2c0e8e-6
0.194
CAS-DEP-167c18e3-2
0.194
MAK-UNK-8fdbca50-41
0.193
MAK-UNK-8fdbca50-26
0.193
LON-WEI-b2874fec-5
0.193
DOU-UNK-b5326f8f-3
0.193
MAR-TRE-6a44bbf2-11
0.192
JAR-KUA-41bd5a3d-9
0.192
MAK-UNK-3d7e3904-1
0.192
WAR-XCH-79d12f6e-4
0.192
ZAC-WAB-86e8bacf-1
0.192
MAK-UNK-8fdbca50-8
0.191
MAK-UNK-f2409524-36
0.191
MAT-POS-b5746674-53
0.190
NIR-THE-0d6461ce-9
0.190
MAK-UNK-b2c98f02-1
0.190
MAK-UNK-f2409524-11
0.190
MIC-UNK-06e5f114-3
0.189
CLI-TLC-0925f3e9-1
0.189
MAK-UNK-8fdbca50-11
0.189
ZAC-WAB-2baeb60f-1
0.188
MAK-UNK-f2409524-28
0.188
ZAC-WAB-d55a3c2e-1
0.188
MAK-UNK-8fdbca50-37
0.188
DAR-DIA-0d514e7d-5
0.188
PET-UNK-d61f3ea6-1
0.188
DRR-IMP-11d47bff-1
0.187
AHN-SAT-de2502ba-5
0.186
MAK-UNK-f2409524-13
0.186
MAT-POS-b5746674-116
0.186
MAK-UNK-f2409524-15
0.186
MAK-UNK-8fdbca50-25
0.186
WAR-XCH-b6889685-24
0.186
WAR-XCH-bdd24732-36
0.185
MAK-UNK-69bf97dd-2
0.185
ALI-DIA-59c2fdb0-3
0.185
GIA-UNK-3f36037a-1
0.185
DAR-DIA-eace69ff-30
0.184