Molecular Properties | |
SMILES: | CCC(=O)NC(N)c1ccc2c(c1)N(C)CCC2 |
MW: | 247.17 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 58.36 |
cLogP: | 1.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
acyclic N-C-N
AAR-POS-d2a4d1df-4
MAK-UNK-53da93bf-2
0.530
AAR-POS-d2a4d1df-4
0.412
MAK-UNK-0b1cbb06-1
0.341
NEA-WAB-7f018ee1-1
0.303
MAK-UNK-0b1cbb06-3
0.295
JAR-IMP-ed466bb3-1
0.282
MAK-UNK-0b1cbb06-2
0.280
PET-SGC-05cff2e1-1
0.277
PET-SGC-6a1b02a9-1
0.267
DUN-NEW-f8ce3686-14
0.267
PET-SGC-abcbce68-1
0.264
MAK-UNK-9a6be56d-5
0.263
NAU-LAT-42d4957e-2
0.263
MAK-UNK-9a6be56d-6
0.261
MAK-UNK-0b1cbb06-4
0.260
MAK-UNK-9a6be56d-3
0.256
MAK-UNK-7a704a63-9
0.256
PET-SGC-616b7348-1
0.255
MAK-UNK-9a6be56d-4
0.250
MAK-UNK-9a6be56d-25
0.250
TAM-UNI-c140e31a-6
0.245
JAC-UNI-14c2e728-1
0.244
PET-SGC-f913cec9-2
0.243
BEN-DND-6de5dfa0-13
0.242
BEN-DND-93268d01-12
0.242
NAU-LAT-42d4957e-5
0.241
PET-SGC-908c18f3-1
0.239
PET-SGC-f913cec9-1
0.239
JOK-SYG-ac99ed27-1
0.234
MAK-UNK-acefcb18-16
0.233
PET-SGC-481b48b7-1
0.233
PAU-UNI-2d648ace-1
0.232
PET-SGC-c4a91520-1
0.232
WIL-WAB-1289c0dd-2
0.231
PET-SGC-fc67af9f-1
0.230
PET-SGC-59809fea-1
0.229
TAM-UNI-c140e31a-4
0.229
NAU-LAT-42d4957e-4
0.228
PET-SGC-210d4c30-1
0.228
DAN-RED-da448e80-7
0.225
DAN-RED-da448e80-11
0.225
DAN-RED-da448e80-15
0.221
MAR-TRE-67513f76-4
0.221
NAU-LAT-42d4957e-3
0.220
ALE-UNK-fca05062-5
0.218
DAN-RED-da448e80-3
0.218
MAK-UNK-9a6be56d-26
0.218
SID-ELM-1f105489-6
0.217
MAK-UNK-10799360-30
0.217
MAK-UNK-c8c8f7e2-34
0.217
MAK-UNK-c8c8f7e2-33
0.217
MAR-TRE-6a44bbf2-46
0.216
HEI-REL-0c990a45-1
0.215
MAR-TRE-f5c2d31c-84
0.213
PAU-UNI-f4334617-1
0.213
DAV-IMP-59dd6621-29
0.213
MAR-TRE-a9136c7b-69
0.213
MAK-UNK-10799360-15
0.211
MAK-UNK-c8c8f7e2-6
0.209
ANT-OPE-997bdc93-2
0.209
MIH-UNI-6b9ca91a-3
0.208
DAR-DIA-37454fd7-1
0.207
MAK-UNK-c8c8f7e2-32
0.207
DAN-RED-da448e80-19
0.206
MAK-UNK-c8c8f7e2-7
0.205
DAV-IMP-59dd6621-22
0.205
BEN-DND-22e6b372-4
0.205
MAK-UNK-7a704a63-7
0.202
MAK-UNK-c8c8f7e2-12
0.202
BEN-DND-6de5dfa0-5
0.202
HAR-NEW-e34cb1ae-6
0.202
HAR-NEW-e34cb1ae-5
0.202
JOK-SYG-6ec557d2-1
0.202
TAM-UNI-c140e31a-17
0.202
DAR-DIA-37454fd7-2
0.202
BEN-DND-93268d01-11
0.200
MAR-TRE-9c797165-52
0.200
MAR-TRE-f6f5f473-63
0.200
BEN-DND-09b88bf4-5
0.200
BEN-DND-93268d01-9
0.200
DAV-IMP-59dd6621-30
0.200
BAR-COM-0f94fc3d-49
0.200
MAR-TRE-8190bb11-90
0.200
MAK-UNK-0b1cbb06-5
0.200
TAM-UNI-c140e31a-12
0.198
MAR-TRE-fd17a9b8-40
0.198
JON-UIO-82a15e73-1
0.198
MAR-LAB-ca4662a6-5
0.198
MAK-UNK-7a704a63-10
0.198
AAR-POS-0daf6b7e-11
0.198
LON-WEI-8f408cad-1
0.198
DAV-IMP-59dd6621-9
0.198
ASH-UNK-40b46b30-18
0.196
MAK-UNK-9159f8ed-4
0.196
AAR-UNI-c25c2f1e-92
0.196
DAV-CRI-e1c2b579-3
0.196
MAK-UNK-7c9d1431-26
0.196
MAR-TRE-6a44bbf2-22
0.196
DAR-DIA-37454fd7-3
0.195
JAR-IMP-ed466bb3-6
0.195