Molecular Properties | |
SMILES: | CC1CC(O)CC(NC(=O)Nc2cncc(CCCC(N)=O)c2)C1 |
MW: | 334.42 |
Fraction sp3: | 0.59 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 117.34 |
cLogP: | 1.5606 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAN-LUN-3e0f9c09-2
0.482
JAN-LUN-8953ce76-4
0.482
JAN-LUN-3e0f9c09-4
0.402
JAN-LUN-8953ce76-7
0.402
JAN-LUN-8953ce76-1
0.402
JAN-LUN-3e0f9c09-1
0.398
JAN-LUN-8953ce76-6
0.398
FRA-FAC-9ed5a63a-6
0.379
JAN-LUN-04aedcc0-7
0.348
JAN-LUN-04aedcc0-1
0.330
FRA-FAC-9ed5a63a-5
0.315
JAN-LUN-04aedcc0-2
0.308
ALE-HEI-f28a35b5-8
0.279
SAD-SAT-689b7d5a-9
0.278
SAD-SAT-135344c3-5
0.265
WIL-UNI-5578df48-25
0.265
FRA-FAC-9ed5a63a-4
0.261
IAN-BAS-daf5a467-1
0.259
FRA-FAC-9ed5a63a-3
0.258
NAU-LAT-b7d8c353-1
0.257
BAR-COM-21d20d65-2
0.255
MAK-UNK-009ebe36-3
0.255
SAD-SAT-135344c3-4
0.255
DAN-PUR-19f24f0c-1
0.250
BAR-COM-21d20d65-8
0.250
MAK-UNK-30aad1f1-3
0.248
WES-WAB-6f418dc2-1
0.245
SID-ELM-2583a2cd-6
0.244
WAR-XCH-6eb0722e-2
0.243
MAK-UNK-f2409524-3
0.242
MAR-TRE-67513f76-6
0.241
MAK-UNK-009ebe36-10
0.240
TRY-UNI-714a760b-7
0.239
WAR-XCH-6eb0722e-3
0.239
WES-WAB-2b40d25a-1
0.236
ABB-MCD-f549d731-1
0.235
WAR-XCH-6eb0722e-6
0.234
WIL-UNI-5578df48-31
0.234
MAR-TRE-799db12b-51
0.233
BEN-BAS-26f6b627-1
0.233
SID-ELM-2583a2cd-5
0.233
SAD-SAT-cefd50cc-6
0.231
CHR-SOS-363cfb78-1
0.231
SAD-SAT-f25ee457-7
0.231
MAK-UNK-f2409524-35
0.231
MED-UNK-e6e8ef8a-3
0.228
MAR-TRE-7f7bb9f0-68
0.228
DAR-DIA-23aa0b97-15
0.227
WIL-UNI-5578df48-14
0.227
MAK-UNK-f2409524-2
0.226
MAK-UNK-f2409524-15
0.226
MAK-UNK-f2409524-18
0.226
SID-ELM-2583a2cd-19
0.226
CES-WAB-18e74d70-1
0.225
BAR-COM-21d20d65-9
0.225
BAR-COM-21d20d65-4
0.225
PET-SGC-c429dc17-1
0.225
DAR-DIA-23aa0b97-9
0.225
SID-ELM-2583a2cd-7
0.225
WIL-UNI-5578df48-30
0.224
MAK-UNK-37f1d6fa-3
0.224
DAR-DIA-842b4336-6
0.223
BAR-COM-5694a99d-1
0.223
MAK-UNK-009ebe36-6
0.223
WIL-UNI-5578df48-28
0.222
BAR-COM-21d20d65-3
0.221
DAR-DIA-23aa0b97-6
0.221
DAR-DIA-23aa0b97-16
0.220
BAR-COM-4e090d3a-8
0.219
MAK-UNK-f2409524-32
0.219
DAR-DIA-23aa0b97-7
0.219
WIL-UNI-5578df48-15
0.219
WIL-UNI-5578df48-32
0.218
MAK-UNK-b2c98f02-5
0.218
WIL-UNI-5578df48-17
0.218
ALE-HEI-f28a35b5-7
0.217
AAR-POS-d2a4d1df-12
0.217
TRY-UNI-714a760b-11
0.217
SID-ELM-2583a2cd-16
0.217
BAR-COM-21d20d65-1
0.217
BAR-COM-21d20d65-7
0.217
WIL-UNI-5578df48-27
0.217
MAR-TRE-04c86cea-97
0.216
CHR-SOS-363cfb78-2
0.216
DAR-DIA-03336633-1
0.216
HAN-NEW-5f56c3bc-3
0.216
MAK-UNK-009ebe36-9
0.216
MAK-UNK-f2409524-36
0.216
BAR-COM-4e090d3a-63
0.216
IAN-BAS-0bc4bd27-1
0.215
WAR-XCH-6eb0722e-4
0.215
SAD-SAT-135344c3-7
0.215
MAR-TRE-2fd8122f-6
0.215
MAK-UNK-b2c98f02-4
0.214
MED-UNK-28939ac5-4
0.214
MAK-UNK-b2c98f02-7
0.214
MAK-UNK-129dcd6f-7
0.214
SAD-SAT-135344c3-10
0.214
DAR-DIA-842b4336-2
0.213
WAR-XCH-6eb0722e-1
0.213