Molecular Properties | |
SMILES: | O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)Nn1cnc2ccccc21 |
MW: | 383.15 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 62.19 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5246760108 |
MolPort: | MolPort-005-714-760 |
Singel acyclic N-N bonds
BAR-COM-0f94fc3d-12
0.435
JAN-GHE-5a013bed-2
0.430
BAR-COM-0f94fc3d-10
0.418
MAT-POS-3b92565d-10
0.409
JAN-GHE-f4ca5a00-7
0.407
MAT-POS-3b92565d-11
0.404
MAT-POS-c478e61b-1
0.398
MAT-POS-3b92565d-12
0.398
JAN-GHE-f4ca5a00-1
0.394
BAR-COM-0f94fc3d-8
0.390
BAR-COM-0f94fc3d-29
0.386
JAN-GHE-f4ca5a00-3
0.380
BAR-COM-0f94fc3d-42
0.378
BAR-COM-0f94fc3d-24
0.376
JAN-GHE-f4ca5a00-9
0.364
AHN-SAT-02ef6d10-2
0.360
MAT-POS-06036648-8
0.356
MAT-POS-c478e61b-2
0.350
ALP-POS-8ed8d9ec-3
0.349
ALP-POS-a3de0cb1-12
0.345
ALP-POS-8ed8d9ec-9
0.339
MAK-UNK-7c9d1431-29
0.338
BAR-COM-0f94fc3d-32
0.337
ALP-POS-bad7201a-8
0.333
ALP-POS-bad7201a-7
0.327
BAR-COM-0f94fc3d-37
0.327
MAR-TRE-a9136c7b-89
0.326
ALP-POS-8ed8d9ec-14
0.325
MAT-POS-b5746674-105
0.324
ALP-POS-a3de0cb1-7
0.321
MAK-UNK-009ebe36-10
0.320
SAD-SAT-1f400d17-6
0.317
AME-NAT-624a42b4-1
0.312
TAT-ENA-80bfd3e5-33
0.310
GIA-UNK-5ec6c2b8-3
0.305
MAK-UNK-f2409524-7
0.286
GIA-UNK-595fac82-5
0.281
BEN-DND-61647d40-13
0.278
BEN-DND-02317c5c-11
0.278
JIN-POS-6dc588a4-1
0.278
JAN-GHE-74b8b0cb-1
0.272
JAN-GHE-f4ca5a00-8
0.272
JAN-GHE-5a013bed-3
0.270
SAD-SAT-1f400d17-8
0.269
MAT-POS-bfb445d4-2
0.265
AAR-UNI-c25c2f1e-68
0.260
JAN-GHE-f4ca5a00-2
0.259
DRA-CSI-0a78d9ba-13
0.259
MAT-POS-162a9720-10
0.258
OLG-UNK-911c2067-1
0.255
PET-UNK-b75fdf9f-1
0.250
UNK-UNK-2ede4078-25
0.250
MAR-TRE-04c86cea-36
0.250
JAN-GHE-f4ca5a00-5
0.250
KRI-MAR-d2e3ef86-19
0.250
ANT-DIA-62e4526e-1
0.250
VLA-UCB-34f3ed0c-2
0.248
MAR-TRE-4b834d9a-19
0.248
MAK-UNK-009ebe36-8
0.248
DRR-IMP-38dce17f-3
0.247
MAK-UNK-7c9d1431-24
0.247
JAN-GHE-74b8b0cb-2
0.246
MAR-TRE-f6f5f473-89
0.245
DAR-DIA-093892e4-10
0.244
VLA-UCB-05e51b3f-8
0.243
VLA-UCB-50c39ae8-5
0.243
MAT-POS-2492181e-9
0.241
MAR-TRE-66ac689e-43
0.240
SAD-SAT-7d5528d9-21
0.240
MAR-TRE-74c6519b-75
0.239
MAT-POS-bfb445d4-1
0.238
BEN-DND-61647d40-12
0.238
BEN-DND-02317c5c-12
0.238
MAT-POS-3b92565d-14
0.238
MAR-TRE-b77b7921-5
0.237
JAN-GHE-f4ca5a00-10
0.236
SAD-SAT-135344c3-4
0.236
TAT-ENA-80bfd3e5-19
0.236
DAR-DIA-093892e4-2
0.235
MAR-TRE-f6f5f473-16
0.235
MAT-POS-06036648-7
0.234
MAR-TRE-92684b97-49
0.234
ALP-POS-a3de0cb1-13
0.234
NIM-UNI-02269248-1
0.234
MAK-UNK-6ca90168-14
0.233
DRR-IMP-38dce17f-7
0.233
DRA-CSI-0a78d9ba-5
0.232
DRA-CSI-0a78d9ba-1
0.231
DAR-DIA-093892e4-12
0.231
MAT-POS-3b92565d-13
0.231
ALP-POS-8ed8d9ec-15
0.230
SAD-SAT-1f400d17-1
0.230
SAD-SAT-7d5528d9-6
0.229
BAR-COM-655b106d-4
0.229
DAR-DIA-667e571f-1
0.229
DAR-DIA-093892e4-3
0.229
EDJ-MED-06d94977-2
0.229
MAK-UNK-acefcb18-27
0.228
KRI-MAR-d2e3ef86-17
0.228
SAD-SAT-7d5528d9-7
0.227