Molecular Properties | |
SMILES: | CCC(=O)Nc1ccc(N(Cc2ccoc2)C(=O)Nc2n[nH]c3ccccc23)cc1 |
MW: | 403.16 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 103.26 |
cLogP: | 4.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-a3de0cb1-11
0.509
ALP-POS-bad7201a-7
0.500
ALP-POS-a3de0cb1-2
0.438
ALP-POS-a3de0cb1-1
0.385
ALP-POS-bad7201a-3
0.377
ALP-POS-bad7201a-13
0.364
ALP-POS-8ed8d9ec-2
0.355
NAU-LAT-a5c7d7cb-10
0.354
EDJ-MED-c8e7a002-11
0.354
ALP-POS-bad7201a-14
0.351
ALP-POS-bad7201a-2
0.350
ALP-POS-a1bdc92a-1
0.349
ALP-POS-a3de0cb1-5
0.336
ALP-POS-c59291d4-2
0.333
RAL-THA-d07c7800-2
0.331
RAL-THA-d07c7800-4
0.331
RAL-THA-d07c7800-6
0.330
RAL-THA-d07c7800-5
0.328
RAL-THA-d07c7800-3
0.327
RAL-THA-d07c7800-1
0.322
ALP-POS-87c86d55-2
0.322
JAG-UCB-52b62a6f-17
0.319
ALP-POS-a3de0cb1-3
0.307
EDJ-MED-06d94977-1
0.306
ALP-POS-8ed8d9ec-12
0.290
ALP-POS-8ed8d9ec-5
0.286
ALP-POS-a3de0cb1-16
0.285
ALP-POS-8ed8d9ec-10
0.273
MAT-POS-06036648-3
0.273
ALP-POS-8ed8d9ec-11
0.269
MAT-POS-06036648-4
0.268
ALP-POS-bad7201a-10
0.265
ALP-POS-bad7201a-1
0.262
RUT-UNI-630c5802-6
0.262
ALP-POS-a3de0cb1-4
0.262
DAR-DIA-667e571f-5
0.261
DAR-DIA-2964957d-3
0.259
RUT-UNI-630c5802-8
0.258
ALP-POS-8ed8d9ec-6
0.254
ALP-POS-8ed8d9ec-4
0.250
WIL-UNI-5578df48-3
0.250
ROB-IMP-e811baff-1
0.250
ALP-POS-bad7201a-12
0.250
RUT-UNI-630c5802-5
0.248
RAL-THA-4a5dabff-6
0.248
RUT-UNI-630c5802-7
0.248
MAR-TRE-1c920f6f-65
0.243
WIL-UNI-5578df48-8
0.243
IAN-BAS-5394d4c4-1
0.242
ALP-POS-c59291d4-3
0.242
ALP-POS-a3de0cb1-15
0.241
ALP-POS-02c6a514-48
0.239
LIZ-THE-8e85e675-1
0.236
RAL-THA-4a5dabff-8
0.234
EDJ-MED-c8e7a002-9
0.234
MAR-TRE-74c6519b-68
0.232
MAR-TRE-b77b7921-67
0.232
ALP-POS-8ed8d9ec-9
0.231
MAT-POS-173a45da-2
0.231
JOH-IMS-62aeb97d-5
0.231
RUT-UNI-630c5802-14
0.228
AAR-POS-8a4e0f60-9
0.227
BAR-COM-4e090d3a-30
0.226
RUT-UNI-630c5802-2
0.226
CUN-WAB-25b584ee-2
0.225
RUT-UNI-630c5802-16
0.225
EDJ-MED-c8e7a002-16
0.223
KEI-TRE-d5e2018a-74
0.223
AAR-POS-8a4e0f60-3
0.223
RUT-UNI-630c5802-3
0.222
RUT-UNI-630c5802-4
0.222
RUT-UNI-630c5802-1
0.221
ALP-POS-bad7201a-9
0.221
MAT-UCB-70f7c0f7-5
0.221
ALP-POS-c59291d4-4
0.221
RAL-MED-2de63afb-11
0.221
RUT-UNI-630c5802-10
0.220
MAR-TRE-66ac689e-37
0.220
LON-WEI-4d77710c-3
0.219
LON-WEI-5e7d1b3e-3
0.219
RUT-UNI-630c5802-13
0.218
RUT-UNI-630c5802-12
0.217
RUT-UNI-630c5802-9
0.216
ALP-POS-a3de0cb1-9
0.216
ALP-POS-8ed8d9ec-13
0.216
ALP-POS-75715966-3
0.216
NJA-MAN-b8640440-25
0.216
MAR-TRE-3e4e6814-100
0.216
MAT-POS-6c284e65-2
0.215
ALP-POS-c3a96089-4
0.215
RUT-UNI-630c5802-11
0.215
RUT-UNI-630c5802-15
0.215
MAR-TRE-14ce9fd6-59
0.214
UNK-UNK-2ede4078-14
0.214
MAT-POS-b5746674-20
0.214
ALP-POS-bad7201a-6
0.213
KEI-TRE-d5e2018a-23
0.212
MAR-TRE-4b834d9a-27
0.212
NIM-UNI-310206f0-50
0.212
FEL-WAB-fb168420-3
0.211