Molecular Properties | |
SMILES: | CCN(CC)C(=O)CC1CNCCN1Cc1ccccn1 |
MW: | 290.411 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 48.47 |
cLogP: | 1.1139 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DRR-IMP-38dce17f-5
0.316
MAR-TRE-f6f5f473-19
0.297
MAR-TRE-d0525fbf-34
0.293
ALP-POS-c0c213c9-1
0.289
JON-UIO-066ce08b-3
0.287
MAR-TRE-4b834d9a-44
0.287
BRU-UNI-248b30bc-16
0.287
ALP-POS-c0c213c9-18
0.286
MAR-TRE-74c6519b-43
0.282
RIC-ARG-a8e88843-1
0.281
MAR-TRE-d0525fbf-76
0.276
MAR-TRE-f6f5f473-38
0.276
MAR-TRE-04c86cea-10
0.276
MAR-TRE-b77b7921-58
0.275
MAR-TRE-c8530538-98
0.274
MAR-SOS-82e3a7c7-8
0.273
MAR-TRE-d3c2bf0e-57
0.273
MAR-SOS-c7881798-5
0.273
MAR-TRE-04c86cea-22
0.271
MAR-TRE-c8530538-40
0.270
MAR-TRE-74c6519b-1
0.269
MAR-TRE-04c86cea-3
0.269
MAR-TRE-f6f5f473-86
0.268
MAR-TRE-b77b7921-76
0.268
MAR-TRE-74c6519b-34
0.268
NJA-MAN-00c90aa2-60
0.267
MAR-TRE-b77b7921-1
0.267
CAT-CEN-91a3f3b0-1
0.265
NJA-MAN-00c90aa2-54
0.265
MAR-TRE-d0525fbf-62
0.264
MAR-TRE-04c86cea-99
0.264
MAR-TRE-c8530538-47
0.263
MAR-TRE-04c86cea-24
0.261
MAR-TRE-04c86cea-42
0.261
NJA-MAN-b8640440-48
0.260
MAR-TRE-c8530538-79
0.260
NJA-MAN-00c90aa2-61
0.260
LON-WEI-b2874fec-6
0.257
MAR-TRE-f6f5f473-49
0.257
MAR-TRE-d0525fbf-18
0.257
MAR-TRE-c8530538-68
0.257
MAR-TRE-74c6519b-4
0.257
ALP-POS-c0c213c9-15
0.255
MAR-TRE-04c86cea-43
0.255
NJA-MAN-00c90aa2-47
0.252
JUL-TUD-06b2044f-155
0.250
MAR-TRE-b77b7921-86
0.250
NJA-MAN-b8640440-12
0.250
MAR-TRE-3e4e6814-46
0.250
NJA-MAN-00c90aa2-46
0.250
MAR-TRE-d0525fbf-49
0.248
MAT-POS-b5746674-68
0.248
ALP-POS-c0c213c9-20
0.248
MAR-TRE-f6f5f473-10
0.248
NJA-MAN-00c90aa2-62
0.248
NJA-MAN-00c90aa2-42
0.248
JON-UNI-93996c9d-7
0.245
NJA-MAN-00c90aa2-63
0.245
MAR-TRE-74c6519b-83
0.245
NJA-MAN-00c90aa2-31
0.245
MAR-TRE-3e4e6814-15
0.243
MAR-TRE-3e4e6814-40
0.243
NJA-MAN-00c90aa2-41
0.243
MAR-TRE-b77b7921-51
0.243
MAR-TRE-b77b7921-62
0.243
NJA-MAN-00c90aa2-29
0.243
NJA-MAN-00c90aa2-30
0.242
BEN-DND-93268d01-4
0.242
MAR-TRE-3e4e6814-77
0.240
MAR-TRE-fd17a9b8-70
0.240
NJA-MAN-00c90aa2-59
0.240
NJA-MAN-00c90aa2-45
0.240
NJA-MAN-b8640440-25
0.240
NJA-MAN-b9fb953f-6
0.240
NJA-MAN-b8640440-13
0.240
NJA-MAN-00c90aa2-32
0.240
NJA-MAN-00c90aa2-68
0.240
NJA-MAN-b8640440-42
0.240
MAR-TRE-3159af1a-45
0.239
NJA-MAN-00c90aa2-48
0.238
NJA-MAN-00c90aa2-55
0.238
NJA-MAN-00c90aa2-50
0.238
MAR-TRE-74c6519b-38
0.238
NJA-MAN-00c90aa2-66
0.238
NJA-MAN-b8640440-31
0.238
NJA-MAN-b8640440-15
0.237
NJA-MAN-b8640440-41
0.237
MAR-TRE-7f7bb9f0-30
0.236
NJA-MAN-00c90aa2-65
0.236
NJA-MAN-00c90aa2-57
0.236
NJA-MAN-00c90aa2-58
0.236
MAR-TRE-3159af1a-20
0.236
MAR-TRE-d0525fbf-96
0.235
NJA-MAN-00c90aa2-11
0.235
NJA-MAN-00c90aa2-12
0.235
NJA-MAN-00c90aa2-14
0.235
MAR-TRE-fd17a9b8-31
0.235
NJA-MAN-00c90aa2-2
0.235
NJA-MAN-00c90aa2-10
0.235
NJA-MAN-00c90aa2-38
0.235