Molecular Properties | |
SMILES: | CCc1cc(N2CCCCCC2)c2ccn(CN(C)C)c2c1 |
MW: | 299.462 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 11.41 |
cLogP: | 4.1032 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-25
0.364
DAR-DIA-eace69ff-28
0.364
DAR-DIA-eace69ff-12
0.345
DAR-DIA-eace69ff-22
0.296
DAR-DIA-eace69ff-23
0.293
DAR-DIA-eace69ff-31
0.268
DAR-DIA-eace69ff-30
0.268
DAR-DIA-eace69ff-3
0.263
DAR-DIA-eace69ff-21
0.262
DAR-DIA-eace69ff-19
0.227
DAR-DIA-eace69ff-1
0.222
DAR-DIA-eace69ff-9
0.222
DAR-DIA-eace69ff-14
0.222
DAR-DIA-eace69ff-4
0.220
MAT-POS-b5746674-6
0.220
DAR-DIA-eace69ff-13
0.219
DAR-DIA-eace69ff-16
0.217
DAR-DIA-eace69ff-11
0.214
DAR-DIA-eace69ff-15
0.214
NAU-LAT-445f63e5-5
0.209
MAT-POS-b5746674-8
0.206
PAT-UNK-b2d83456-3
0.202
DAR-DIA-eace69ff-18
0.202
DAR-DIA-eace69ff-27
0.202
DAR-DIA-eace69ff-5
0.200
DAR-DIA-eace69ff-17
0.200
DAR-DIA-eace69ff-10
0.198
WEI-UNI-64684f14-3
0.198
DAR-DIA-eace69ff-7
0.194
DAR-DIA-eace69ff-29
0.193
UNK-UNK-2ede4078-21
0.192
DAR-DIA-eace69ff-6
0.190
BEN-VAN-c986b20b-8
0.189
DAR-DIA-eace69ff-20
0.189
MAT-POS-b5746674-5
0.189
DAR-DIA-eace69ff-2
0.187
DAR-DIA-eace69ff-24
0.187
MAN-SYN-45e45961-2
0.186
MAN-SYN-45e45961-7
0.186
DAR-DIA-eace69ff-8
0.184
KRI-MAR-d2e3ef86-12
0.184
RAF-POL-950dada1-6
0.182
RAF-POL-950dada1-4
0.182
RAF-POL-8f876833-1
0.182
CHR-UNL-7577488f-1
0.178
ALP-POS-bad7201a-12
0.177
MAK-UNK-3d7e3904-2
0.176
MAR-TRE-f5c2d31c-68
0.175
AAR-UNI-c25c2f1e-13
0.174
JOH-IMS-7e73aedd-4
0.174
SAD-SAT-29425be4-8
0.173
ALP-POS-7c842ab8-1
0.173
BEN-VAN-c986b20b-2
0.172
DRV-UNK-dd7f8c68-8
0.171
MAK-UNK-acefcb18-26
0.171
DRV-UNK-64047f27-7
0.171
ALP-POS-7c842ab8-2
0.171
DAR-DIA-eace69ff-34
0.171
MAR-LAB-ff9967db-23
0.170
CHO-MSK-00c5269a-5
0.170
MAR-TRE-ebcc4ad6-39
0.170
MAR-TRE-3724962b-31
0.170
MAK-UNK-c97f7c8f-2
0.169
VIK-SYN-9a3d118a-8
0.169
SAD-SAT-24589cd1-2
0.169
BEN-VAN-c986b20b-4
0.167
MAR-TRE-dab8f6ea-43
0.167
LOR-NOR-30067bb9-1
0.167
DAR-DIA-0cde14eb-16
0.167
ALP-POS-8ed8d9ec-9
0.167
MAR-TRE-dab8f6ea-42
0.165
MAR-TRE-f5c2d31c-87
0.165
AAR-POS-fca48359-5
0.165
MAR-TRE-6a44bbf2-14
0.163
JAN-GHE-1d98ec1c-4
0.163
MAR-TRE-e86a56b5-57
0.163
JOK-SYG-18591e8f-1
0.163
WAR-XCH-b6889685-54
0.163
MAK-UNK-212f693e-15
0.163
MAT-POS-162a9720-13
0.162
ALP-POS-6d04362c-3
0.162
MAR-TRE-be9ff7d2-75
0.162
JOH-UNI-0e1753c1-1
0.161
LOR-NOR-c954e7ad-4
0.160
DRA-CSI-47e38074-12
0.160
MAR-TRE-dab8f6ea-48
0.160
MAT-CRI-b80b8c24-1
0.160
MAT-POS-b5746674-116
0.160
MAR-TRE-d3c2bf0e-59
0.160
BEN-VAN-c986b20b-3
0.160
REN-UFA-aaaed2d6-3
0.160
MAT-POS-ea426761-56
0.160
UNK-CYC-68f84b31-50
0.159
AHN-SAT-de2502ba-17
0.159
RAF-POL-950dada1-10
0.159
MAK-UNK-c8c8f7e2-17
0.159
JAG-UCB-ef2c0e8e-8
0.159
SAD-SAT-29425be4-18
0.159
COM-UCB-1ef4e90e-11
0.159
UNK-UNK-2ede4078-98
0.159