Molecular Properties | |
SMILES: | CN1CCCc2ccc(C(N)CCN)cc21 |
MW: | 219.17 |
Fraction sp3: | 0.54 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 55.28 |
cLogP: | 1.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-4
MAK-UNK-53da93bf-3
0.530
AAR-POS-d2a4d1df-4
0.435
MAK-UNK-0b1cbb06-1
0.354
MAK-UNK-0b1cbb06-3
0.343
MAK-UNK-0b1cbb06-4
0.286
JAR-IMP-ed466bb3-1
0.276
NEA-WAB-7f018ee1-1
0.274
PET-SGC-abcbce68-1
0.272
MAK-UNK-9a6be56d-6
0.266
MAK-UNK-9a6be56d-3
0.261
DUN-NEW-f8ce3686-14
0.259
MAK-UNK-9a6be56d-5
0.257
MAK-UNK-9a6be56d-4
0.255
MAK-UNK-9a6be56d-25
0.254
PET-SGC-6a1b02a9-1
0.244
MAK-UNK-c8c8f7e2-33
0.237
PET-SGC-c4a91520-1
0.236
JAC-UNI-14c2e728-1
0.233
NAU-LAT-42d4957e-4
0.233
PET-SGC-05cff2e1-1
0.232
MAK-UNK-0b1cbb06-2
0.231
PET-SGC-908c18f3-1
0.230
NAU-LAT-42d4957e-2
0.229
MAK-UNK-9a6be56d-26
0.220
PET-SGC-616b7348-1
0.220
DAN-RED-da448e80-11
0.216
PAU-UNI-2d648ace-1
0.211
NAU-LAT-42d4957e-3
0.209
PET-SGC-f913cec9-1
0.209
MAK-UNK-10799360-30
0.208
MAK-UNK-c8c8f7e2-34
0.205
DAN-RED-da448e80-7
0.204
PAU-UNI-f4334617-1
0.204
PET-SGC-f913cec9-2
0.204
MAK-UNK-0b1cbb06-5
0.203
MAK-UNK-10799360-15
0.202
DAN-RED-da448e80-15
0.200
NAU-LAT-42d4957e-5
0.198
TAM-UNI-c140e31a-6
0.198
PET-SGC-59809fea-1
0.196
DAN-RED-da448e80-3
0.196
PET-SGC-481b48b7-1
0.195
MAK-UNK-c8c8f7e2-32
0.195
MAK-UNK-9a6be56d-17
0.195
MAT-UNK-88dc5cbd-1
0.194
BEN-DND-6de5dfa0-13
0.194
BEN-DND-93268d01-12
0.194
MAK-UNK-c8c8f7e2-7
0.193
MAK-UNK-9a6be56d-2
0.192
HAR-NEW-e34cb1ae-5
0.191
HEI-REL-0c990a45-1
0.191
HAR-NEW-e34cb1ae-6
0.191
MAR-TRE-6a44bbf2-46
0.190
WIL-WAB-1289c0dd-2
0.189
MAK-UNK-9a6be56d-18
0.188
PET-SGC-210d4c30-1
0.188
IND-SYN-8f867502-2
0.187
JAR-IMP-ed466bb3-6
0.185
HAR-NEW-e34cb1ae-4
0.185
MAK-UNK-9a6be56d-9
0.185
DAN-RED-da448e80-19
0.184
MAK-UNK-9a6be56d-8
0.183
MAK-UNK-9a6be56d-22
0.183
MAK-UNK-9a6be56d-23
0.183
MAK-UNK-9a6be56d-27
0.183
MAK-UNK-c8c8f7e2-6
0.183
MAK-UNK-9a6be56d-15
0.182
MAK-UNK-9a6be56d-14
0.182
MAK-UNK-9a6be56d-16
0.182
MAR-LAB-ff9967db-20
0.181
MAK-UNK-9a6be56d-19
0.180
JOK-SYG-6ec557d2-1
0.179
PET-SGC-fc67af9f-1
0.179
DAR-DIA-37454fd7-1
0.177
MAK-UNK-9a6be56d-24
0.176
BOG-INS-16021dc0-1
0.175
MAK-UNK-9a6be56d-1
0.174
MAK-UNK-9a6be56d-11
0.174
DAN-RED-da448e80-10
0.173
TAM-UNI-c140e31a-4
0.173
DAV-IMP-59dd6621-30
0.173
DAR-DIA-37454fd7-2
0.172
JOK-SYG-ac99ed27-1
0.172
MAK-UNK-c8c8f7e2-31
0.171
MAK-UNK-9a6be56d-28
0.171
MAK-UNK-9a6be56d-21
0.171
IND-SYN-058869ff-1
0.169
IND-SYN-8f867502-3
0.169
DAV-IMP-59dd6621-9
0.169
MAR-TRE-1c920f6f-38
0.169
MAR-TRE-14ce9fd6-76
0.169
DAR-DIA-37454fd7-3
0.167
ALE-SYG-bac15da4-1
0.167
IND-SYN-8f867502-1
0.167
MAR-TRE-1c920f6f-17
0.167
MAR-TRE-14ce9fd6-20
0.167
MAR-TRE-1c920f6f-25
0.167
MAK-UNK-9a6be56d-12
0.167
MAR-TRE-67513f76-4
0.167
MAK-UNK-9a6be56d-10
0.167