Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCC2)c2c(c1)c(CN(C)C)cn2C1CCCCC1 |
MW: | 382.592 |
Fraction sp3: | 0.68 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 17.4 |
cLogP: | 6.48200000000001 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-13
0.588
DAR-DIA-eace69ff-1
0.560
DAR-DIA-eace69ff-14
0.560
DAR-DIA-eace69ff-4
0.553
DAR-DIA-eace69ff-15
0.552
DAR-DIA-eace69ff-9
0.541
DAR-DIA-eace69ff-11
0.534
DAR-DIA-eace69ff-27
0.500
DAR-DIA-eace69ff-18
0.481
DAR-DIA-eace69ff-19
0.475
DAR-DIA-eace69ff-7
0.415
DAR-DIA-eace69ff-8
0.404
DAR-DIA-eace69ff-2
0.398
DAR-DIA-eace69ff-17
0.378
DAR-DIA-eace69ff-3
0.378
DAR-DIA-eace69ff-5
0.354
DAR-DIA-eace69ff-6
0.337
DAR-DIA-eace69ff-10
0.323
DAR-DIA-eace69ff-24
0.311
DAR-DIA-eace69ff-12
0.296
DAR-DIA-eace69ff-28
0.292
DAR-DIA-eace69ff-29
0.278
DAR-DIA-eace69ff-20
0.258
DAR-DIA-eace69ff-25
0.250
BAR-COM-4e090d3a-65
0.242
DAR-DIA-eace69ff-34
0.233
BEN-VAN-d8fd1356-27
0.228
BEN-VAN-d8fd1356-25
0.224
DAR-DIA-eace69ff-26
0.217
TIM-UNK-bbdeee69-1
0.216
BAR-COM-4e090d3a-26
0.212
MAR-TRE-04c86cea-25
0.209
DAR-DIA-eace69ff-22
0.198
BEN-VAN-d8fd1356-26
0.196
DAR-DIA-eace69ff-23
0.196
MAR-TRE-92684b97-70
0.193
BEN-VAN-d8fd1356-28
0.192
MAR-TRE-04c86cea-20
0.192
MAR-TRE-f6f5f473-72
0.190
MAR-TRE-f6f5f473-62
0.190
BEN-VAN-d8fd1356-29
0.189
MAR-TRE-74c6519b-16
0.188
MAR-TRE-04c86cea-9
0.188
ALI-DIA-59c2fdb0-3
0.188
DAR-DIA-eace69ff-30
0.188
ROM-UNK-ef52a3c9-3
0.187
DAR-DIA-eace69ff-35
0.186
MAR-TRE-f6f5f473-88
0.186
DAR-DIA-eace69ff-21
0.184
MAR-TRE-fffca54f-95
0.183
MAR-TRE-f6f5f473-50
0.183
MAK-UNK-f2409524-25
0.181
DAR-DIA-0d514e7d-4
0.180
MAR-TRE-f6f5f473-45
0.179
MAR-TRE-f6f5f473-96
0.179
BAR-COM-4e090d3a-34
0.179
MAR-TRE-f6f5f473-82
0.179
JUL-TUD-06b2044f-114
0.176
MAK-UNK-748f8b7a-3
0.176
DAR-DIA-eace69ff-31
0.175
BAR-COM-4e090d3a-50
0.174
RAL-THA-6ca1b233-2
0.174
MAR-TRE-f6f5f473-16
0.174
MAR-TRE-04c86cea-56
0.174
ALI-DIA-59c2fdb0-2
0.172
MAT-POS-b5746674-5
0.172
NIC-UNI-f08e2453-2
0.172
JOH-IMS-0f19a540-7
0.172
JAG-UCB-a3ef7265-19
0.172
JUL-TUD-06b2044f-64
0.171
MAK-UNK-f2409524-24
0.171
MAR-TRE-f6f5f473-26
0.171
MAT-POS-b5746674-4
0.171
FRA-BIO-8bf1eac9-2
0.170
EDJ-MED-28b38b9b-2
0.169
MAK-UNK-f2409524-1
0.168
MAK-UNK-f2409524-26
0.168
MAT-POS-ee5e8e94-1
0.168
BEN-VAN-d8fd1356-16
0.167
SID-ELM-2583a2cd-15
0.167
DRA-CSI-7ec17797-12
0.167
ANT-OPE-47f3bb65-2
0.167
MAK-UNK-f2409524-3
0.167
BRU-CON-67e07230-1
0.167
MAR-TRE-3159af1a-49
0.167
VIC-UNK-4c50f32e-1
0.167
MAK-UNK-ec98eaf6-5
0.165
SAD-SAT-29425be4-27
0.165
FRA-LAB-04e32718-1
0.165
MAR-TRE-c317dd82-67
0.165
LON-WEI-b8d98729-34
0.165
TOM-OIS-cbf37265-2
0.165
ANT-OPE-47f3bb65-1
0.165
ANT-OPE-47f3bb65-3
0.165
ALP-POS-bb8a3193-8
0.164
DOU-UNK-b5326f8f-17
0.164
ALP-POS-df536be7-4
0.164
MAR-TRE-b77b7921-22
0.164
MAT-POS-ea426761-71
0.164
MAK-UNK-10dfa458-14
0.164