Molecular Properties | |
SMILES: | O=C(NC1CCCCC1C(=O)N1CCOCC1)c1ccccc1 |
MW: | 316.401 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 58.64 |
cLogP: | 1.834 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-12
GIA-UNK-d2defdc3-2
0.443
GIA-UNK-d2defdc3-6
0.408
GIA-UNK-d2defdc3-4
0.405
GIA-UNK-eaadd1d4-1
0.351
AAR-POS-0daf6b7e-5
0.342
ZAC-WAB-b0242612-1
0.338
GIA-UNK-eaadd1d4-3
0.338
SIM-SYN-7db9eb24-1
0.337
MAK-UNK-3f402c2b-18
0.333
MAR-TRE-66ac689e-61
0.322
GIA-UNK-30c7cb75-2
0.321
GIA-UNK-30c7cb75-5
0.298
GIA-UNK-3f36037a-2
0.295
MAR-TRE-8190bb11-41
0.291
GIA-UNK-d2defdc3-1
0.289
MAK-UNK-10799360-2
0.287
SIM-SYN-7db9eb24-2
0.284
GIA-UNK-3f36037a-6
0.284
GIA-UNK-5ec6c2b8-1
0.284
MAR-TRE-dab8f6ea-47
0.280
GIA-UNK-3f36037a-1
0.276
PAT-GYR-de8eec61-4
0.276
GIA-UNK-595fac82-2
0.272
BRU-UNI-248b30bc-12
0.271
PAT-GYR-de8eec61-1
0.269
MAR-TRE-c317dd82-18
0.267
MAR-TRE-be9ff7d2-16
0.267
MAR-TRE-c317dd82-96
0.265
MAR-TRE-dab8f6ea-25
0.265
MAR-TRE-8190bb11-56
0.261
MAR-TRE-dab8f6ea-19
0.260
DAR-DIA-03336633-10
0.257
GIA-UNK-995df016-10
0.256
MAR-TRE-dab8f6ea-40
0.256
MAR-TRE-dab8f6ea-5
0.255
ARI-TAT-5792557e-4
0.255
SCO-CSI-e30c12ee-1
0.255
MAR-TRE-0fda4e82-37
0.253
ZAC-WAB-0847d168-1
0.253
MAR-TRE-e82e6c98-81
0.253
MAR-TRE-dab8f6ea-13
0.253
MAR-TRE-dab8f6ea-31
0.253
RED-RED-10c9212c-47
0.250
MAR-TRE-dab8f6ea-12
0.248
MAR-TRE-dab8f6ea-27
0.248
MAR-TRE-799db12b-92
0.247
MAR-TRE-dab8f6ea-45
0.247
PAT-GYR-359dbb24-2
0.247
STE-KUL-2e0d2e88-1
0.247
CHR-SOS-7098f804-9
0.246
IAN-BAS-647c7407-1
0.246
MAR-TRE-dab8f6ea-8
0.245
MAR-TRE-92684b97-70
0.245
NIC-UNI-80385019-1
0.245
BAR-COM-4e090d3a-45
0.245
MAR-TRE-dab8f6ea-41
0.245
MAR-TRE-dab8f6ea-30
0.244
MAR-TRE-92684b97-57
0.244
ASH-UNK-40b46b30-15
0.243
MAR-TRE-dab8f6ea-14
0.242
MAR-TRE-9d18ae8c-93
0.241
JOH-UNI-27ac80fd-17
0.241
RAF-POL-b61b4b25-1
0.241
PAT-GYR-de8eec61-3
0.240
MAR-TRE-dab8f6ea-39
0.240
MAR-TRE-8190bb11-7
0.239
MAT-POS-b5746674-86
0.239
MAK-UNK-f983951f-21
0.239
MAR-TRE-be9ff7d2-69
0.239
PAT-GYR-359dbb24-1
0.238
AAR-POS-d2a4d1df-21
0.238
MAR-TRE-2fd8122f-31
0.237
PAT-GYR-de8eec61-7
0.237
MAR-TRE-92684b97-39
0.236
JAG-SYN-9c2cd0bd-7
0.235
PAT-GYR-de8eec61-2
0.235
MAK-UNK-987948f6-2
0.234
PET-UNK-1320d94d-13
0.233
PET-UNK-1320d94d-14
0.233
GIA-UNK-20b63697-2
0.233
GIA-UNK-d2defdc3-7
0.233
MAK-UNK-f983951f-6
0.232
GIA-UNK-30c7cb75-1
0.232
MAR-TRE-f6f5f473-74
0.232
MAR-TRE-a9136c7b-96
0.232
MAR-TRE-c317dd82-7
0.232
PET-UNK-1320d94d-3
0.231
PET-UNK-1320d94d-4
0.231
MIC-SGC-657978c3-2
0.231
MAR-TRE-dab8f6ea-26
0.230
MAR-TRE-dab8f6ea-29
0.230
MAR-TRE-dab8f6ea-37
0.229
TAM-UNI-d1c3dd9f-21
0.229
JOH-UNI-522b0723-10
0.229
TAT-ENA-80bfd3e5-11
0.229
MAK-UNK-10799360-19
0.229
JOH-UNI-abdb2f0c-3
0.227
PET-SGC-cb83a00c-1
0.227
PAT-GYR-359dbb24-4
0.227
MAR-TRE-6a44bbf2-9
0.227