Molecular Properties | |
SMILES: | COc1ccc(CNC(=N)N2CCC(Cc3ccccc3)CC2)cc1 |
MW: | 337.467 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 48.35 |
cLogP: | 3.67427 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
imine
imine
Imine 3
DRA-CSI-47e38074-16
0.619
DRA-CSI-47e38074-13
0.557
DRA-CSI-47e38074-6
0.541
DRA-CSI-47e38074-3
0.538
DRA-CSI-47e38074-2
0.500
DRA-CSI-47e38074-5
0.492
AAR-POS-fca48359-4
0.476
DRA-CSI-47e38074-15
0.456
DRA-CSI-47e38074-12
0.449
DRA-CSI-47e38074-4
0.438
AAR-POS-fca48359-5
0.419
DRA-CSI-47e38074-7
0.402
DRA-CSI-47e38074-10
0.390
MAR-TRE-f6f5f473-48
0.388
DRA-CSI-47e38074-14
0.385
DRA-CSI-47e38074-11
0.375
LON-WEI-4d77710c-54
0.362
LON-WEI-5e7d1b3e-54
0.362
MAT-POS-b5746674-107
0.362
RED-RED-10c9212c-26
0.360
DRA-CSI-47e38074-9
0.356
SAD-SAT-29425be4-29
0.295
MAK-UNK-af83ef51-6
0.293
MAR-TRE-4b834d9a-39
0.287
MAT-POS-b5746674-16
0.287
MAR-TRE-04c86cea-56
0.284
MAT-POS-b5746674-58
0.283
MAR-TRE-799db12b-84
0.282
MAK-UNK-10dfa458-10
0.280
MAR-TRE-4b834d9a-23
0.280
MAK-UNK-212f693e-16
0.280
MAK-UNK-10dfa458-40
0.279
MAK-UNK-212f693e-35
0.278
DAV-IMP-59dd6621-24
0.270
GIA-UNK-5ec6c2b8-5
0.269
MAT-POS-b5746674-62
0.269
GIA-UNK-3f36037a-6
0.268
DRA-CSI-0a78d9ba-1
0.266
PAT-GYR-de8eec61-3
0.265
DUN-NEW-f8ce3686-25
0.264
MAK-UNK-212f693e-34
0.263
MAK-UNK-212f693e-32
0.259
MAR-TRE-fd17a9b8-81
0.258
MAK-UNK-194150d3-11
0.258
MAR-LAB-ff9967db-10
0.256
GIA-UNK-595fac82-5
0.256
SAD-SAT-2fd372d1-2
0.256
MAR-TRE-6a44bbf2-9
0.256
PAT-GYR-de8eec61-1
0.255
ALP-POS-a3de0cb1-15
0.255
NIM-UNI-13494739-8
0.253
MAR-TRE-d0525fbf-9
0.248
AAR-UNI-c25c2f1e-70
0.247
MAR-TRE-e86a56b5-74
0.247
NIR-THE-0d6461ce-8
0.247
JON-UNI-bb9dc649-9
0.247
MAR-TRE-1c920f6f-59
0.247
MAR-TRE-e86a56b5-64
0.247
YUN-WES-64c64eb2-6
0.246
YUN-WES-58b0dbae-8
0.246
DRA-CSI-7ec17797-1
0.245
DAN-MCD-1c3944e2-1
0.245
AAR-POS-8a4e0f60-6
0.245
ANT-OPE-7824651a-1
0.244
RAL-THA-2d450e86-4
0.244
NIR-THE-0d6461ce-4
0.242
PEI-IMP-668afc53-1
0.242
MAR-LAB-ff9967db-12
0.242
GIA-UNK-595fac82-2
0.241
YUN-WES-64c64eb2-1
0.240
YUN-WES-58b0dbae-2
0.240
MIC-SGC-657978c3-5
0.239
NIM-UNI-43fe0159-8
0.239
MAK-UNK-7c9d1431-17
0.238
ALP-POS-a3de0cb1-14
0.238
MAR-TRE-3e4e6814-21
0.238
YUN-WES-58b0dbae-3
0.238
MAT-POS-b5746674-51
0.238
MAR-SOS-82e3a7c7-9
0.238
MAR-SOS-c7881798-9
0.238
NAU-LAT-64f4b287-9
0.237
AAR-POS-0daf6b7e-18
0.237
JUA-UNI-b93289a4-4
0.237
MAR-TRE-fd17a9b8-6
0.237
NAU-LAT-64f4b287-4
0.237
MAR-TRE-d0525fbf-37
0.236
MAR-TRE-a3327163-70
0.235
MAK-UNK-af83ef51-2
0.235
NAU-LAT-f723e322-5
0.235
PAT-GYR-de8eec61-4
0.233
DAN-MCD-b3a5626f-1
0.233
DAN-MCD-9b81d1fa-1
0.233
DRA-CSI-0a78d9ba-5
0.233
MAR-TRE-14ce9fd6-77
0.233
MAR-TRE-fd17a9b8-91
0.233
LUI-IND-2c46affe-3
0.232
DAN-MCD-5390ac8b-1
0.231
DRA-CSI-3ab97369-1
0.230
MAR-TRE-a3327163-30
0.230
MAR-TRE-2fd8122f-64
0.230