Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2cncc(CN(C)C)c2c1 |
MW: | 312.457 |
Fraction sp3: | 0.55 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 25.36 |
cLogP: | 4.5703 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-27
0.507
DAR-DIA-eace69ff-18
0.487
DAR-DIA-eace69ff-16
0.475
DAR-DIA-eace69ff-13
0.430
DAR-DIA-eace69ff-14
0.427
DAR-DIA-eace69ff-1
0.411
DAR-DIA-eace69ff-9
0.411
DAR-DIA-eace69ff-11
0.409
DAR-DIA-eace69ff-15
0.409
DAR-DIA-eace69ff-4
0.407
DAR-DIA-eace69ff-3
0.337
DAR-DIA-eace69ff-24
0.326
DAR-DIA-eace69ff-8
0.306
DAR-DIA-eace69ff-28
0.306
DAR-DIA-eace69ff-29
0.306
DAR-DIA-eace69ff-17
0.304
DAR-DIA-eace69ff-7
0.303
DAR-DIA-eace69ff-2
0.291
DAR-DIA-eace69ff-6
0.284
DAR-DIA-eace69ff-25
0.276
DAR-DIA-eace69ff-5
0.273
DAR-DIA-eace69ff-10
0.270
BAR-COM-4e090d3a-26
0.258
DAR-DIA-eace69ff-34
0.244
DAR-DIA-eace69ff-12
0.242
BAR-COM-4e090d3a-65
0.240
DAR-DIA-eace69ff-22
0.233
DAR-DIA-eace69ff-26
0.227
DAR-DIA-eace69ff-23
0.217
SID-ELM-2583a2cd-15
0.213
TIM-UNK-bbdeee69-1
0.212
BEN-VAN-d8fd1356-25
0.208
DAR-DIA-0d514e7d-4
0.207
MAT-POS-ee5e8e94-1
0.205
RAL-THA-901e9a10-6
0.202
MAR-TRE-3e4e6814-96
0.200
MAK-UNK-748f8b7a-3
0.198
JOH-IMS-62aeb97d-1
0.198
DAR-DIA-eace69ff-30
0.196
ROM-UNK-ef52a3c9-3
0.194
DAR-DIA-eace69ff-21
0.191
ALF-EVA-0b412456-4
0.191
SID-ELM-2583a2cd-19
0.191
DAR-DIA-eace69ff-20
0.189
SID-ELM-2583a2cd-2
0.189
BEN-VAN-d8fd1356-27
0.188
SID-ELM-2583a2cd-13
0.188
MAK-UNK-f2409524-1
0.186
MAK-UNK-f2409524-3
0.186
MAK-UNK-c749d764-15
0.185
SID-ELM-2583a2cd-21
0.184
DAR-DIA-eace69ff-31
0.183
JOH-IMS-0f19a540-8
0.183
TRY-UNI-69298daf-1
0.182
MAR-TRE-74c6519b-57
0.181
DAR-DIA-eace69ff-35
0.181
ALF-EVA-650655fc-5
0.180
DAR-DIA-6a49afbe-4
0.180
RAL-MED-2de63afb-2
0.180
BAR-COM-4e090d3a-20
0.180
BEN-VAN-d8fd1356-26
0.180
TRY-UNI-69298daf-5
0.179
RAL-THA-3d7a794f-3
0.179
SID-ELM-8b394441-18
0.179
SID-ELM-2583a2cd-12
0.177
RUB-POS-1325a9ea-10
0.177
MIC-UNK-c66144cb-6
0.175
ALF-EVA-0b412456-1
0.175
EDJ-MED-28b38b9b-2
0.175
BAR-COM-4e090d3a-34
0.175
MAK-UNK-f2409524-26
0.175
MAK-UNK-b7886382-5
0.174
MAK-UNK-f2409524-23
0.174
PET-UNK-b38839dc-5
0.174
JOR-UNI-61e7b1d5-19
0.174
MAK-UNK-f2409524-30
0.174
BEN-DND-d1eb1f41-6
0.173
MAR-TRE-74c6519b-24
0.173
VIC-UNK-4c50f32e-1
0.173
ERI-UCB-ce40166b-1
0.173
SAN-PRS-52b81272-1
0.172
DAR-DIA-6a49afbe-3
0.172
MAR-TRE-f6f5f473-28
0.172
JUL-TUD-06b2044f-114
0.172
SID-ELM-b654bfa2-16
0.172
SID-ELM-8b394441-19
0.172
SAD-SAT-29425be4-27
0.171
TRY-UNI-69298daf-3
0.171
BEN-BAS-2a7c309d-1
0.171
MAT-POS-173a45da-1
0.171
MAR-TRE-3724962b-24
0.170
FRA-FAC-9ed5a63a-1
0.170
AAR-POS-d2a4d1df-13
0.170
ALE-HEI-f28a35b5-9
0.170
MAR-TRE-92684b97-83
0.170
SID-ELM-b654bfa2-8
0.170
CES-WAB-18e74d70-1
0.170
PET-SGC-c429dc17-1
0.170
MAK-UNK-10dfa458-14
0.170
BAR-COM-4e090d3a-50
0.170