Molecular Properties | |
SMILES: | CCc1cc(CC2CCCCC2)c2[nH]cc(CN(C)C)c2c1 |
MW: | 298.474 |
Fraction sp3: | 0.6 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 19.03 |
cLogP: | 4.9147 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-34
0.571
DAR-DIA-eace69ff-27
0.507
DAR-DIA-eace69ff-24
0.500
DAR-DIA-eace69ff-18
0.486
DAR-DIA-eace69ff-25
0.459
DAR-DIA-eace69ff-22
0.367
DAR-DIA-eace69ff-23
0.362
DAR-DIA-eace69ff-21
0.346
DAR-DIA-eace69ff-30
0.338
DAR-DIA-eace69ff-31
0.338
DAR-DIA-eace69ff-32
0.312
DAR-DIA-eace69ff-19
0.306
DAR-DIA-eace69ff-33
0.305
DAR-DIA-eace69ff-13
0.304
NIR-THE-0d6461ce-2
0.278
DAR-DIA-eace69ff-16
0.278
DAR-DIA-eace69ff-17
0.272
BEN-VAN-d8fd1356-25
0.270
DAR-DIA-eace69ff-5
0.268
DAR-DIA-eace69ff-1
0.265
DAR-DIA-eace69ff-4
0.263
DAR-DIA-eace69ff-28
0.256
DAR-DIA-eace69ff-11
0.255
DAR-DIA-eace69ff-14
0.253
DAR-DIA-eace69ff-35
0.250
DAR-DIA-eace69ff-15
0.243
DAR-DIA-eace69ff-6
0.243
DAR-DIA-eace69ff-9
0.240
DAR-DIA-eace69ff-10
0.240
BEN-VAN-d8fd1356-27
0.232
LYN-UNI-7bb260d6-6
0.230
BEN-VAN-d8fd1356-21
0.227
DAR-DIA-eace69ff-12
0.224
FRA-LAB-04e32718-1
0.224
WIL-LEE-1f71e281-6
0.220
LYN-UNI-c2dd631d-2
0.214
MAT-UCB-70f7c0f7-5
0.214
ROM-UNK-ef52a3c9-3
0.212
MAK-UNK-ec98eaf6-33
0.212
MAR-TRE-fffca54f-95
0.208
SID-ELM-2583a2cd-15
0.207
BEN-VAN-d8fd1356-22
0.207
NIC-UNI-f08e2453-2
0.206
TOM-OIS-cbf37265-2
0.205
ANT-OPE-47f3bb65-1
0.205
LON-WEI-b8d98729-34
0.205
DUN-NEW-f8ce3686-11
0.204
SAM-UNK-903735bd-1
0.204
DAR-DIA-eace69ff-2
0.204
ROB-UNI-b2e39629-2
0.202
JOH-IMS-0f19a540-8
0.202
SCO-VAN-260d9628-6
0.202
JOK-SYG-b9f02a42-1
0.202
JOH-MSK-d60b0211-1
0.200
SID-ELM-b654bfa2-9
0.200
DAR-DIA-eace69ff-7
0.200
PAT-UNK-b2d83456-5
0.200
MAT-POS-173a45da-1
0.198
JOK-SYG-b9f02a42-2
0.198
BEN-VAN-d8fd1356-26
0.198
JOH-MSK-2d8052dc-1
0.196
JOK-SYG-b9f02a42-3
0.196
MAK-UNK-be5ffcbc-2
0.196
DAR-DIA-eace69ff-20
0.196
MAK-UNK-be5ffcbc-4
0.194
HAN-NEW-5f56c3bc-2
0.194
DAR-DIA-eace69ff-26
0.193
ANT-OPE-47f3bb65-2
0.193
SAN-PRS-52b81272-1
0.193
ELE-IMP-dfb36048-5
0.193
MAK-UNK-230cdef2-7
0.192
MAK-UNK-f2409524-3
0.191
BEN-DND-362d364a-8
0.191
ROB-UNI-b2e39629-7
0.191
ROB-UNI-b2e39629-4
0.191
SIM-DEM-265738e1-1
0.191
TAM-UNI-c140e31a-15
0.191
PET-SGC-f818f65b-1
0.191
ELE-IMP-dfb36048-1
0.191
SAM-UNK-903735bd-2
0.191
ANT-OPE-47f3bb65-3
0.191
MAT-UCB-93f6aed8-2
0.191
JAN-GHE-6413aaf8-8
0.191
ORN-MSD-5b974918-1
0.190
TIM-UNK-bbdeee69-1
0.190
DAR-DIA-fb20be43-14
0.190
DAR-DIA-eace69ff-8
0.190
VIC-UNK-4c50f32e-1
0.190
JOR-UNI-61e7b1d5-19
0.189
MAR-TRE-92684b97-83
0.189
TOM-OIS-cbf37265-1
0.189
TAM-UNI-c140e31a-16
0.188
MAT-UCB-93f6aed8-1
0.188
JOK-SYG-b7365cd7-1
0.188
SAL-INS-3161d1be-4
0.188
MIC-UNK-96659df2-5
0.186
JAN-GHE-6413aaf8-6
0.186
ALP-POS-64a710fa-1
0.185
DAR-DIA-03336633-12
0.185
DAR-DIA-eace69ff-3
0.185