Molecular Properties | |
SMILES: | Cn1ccc(CN(C(=O)Cc2cccnc2)c2ccc(NC(=O)c3ccccc3)cc2)c1 |
MW: | 424.504 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 67.23 |
cLogP: | 4.4483 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RUT-UNI-630c5802-8
0.730
RUT-UNI-630c5802-7
0.711
RUT-UNI-630c5802-2
0.705
RUT-UNI-630c5802-10
0.663
RUT-UNI-630c5802-14
0.621
RUT-UNI-630c5802-5
0.559
RUT-UNI-630c5802-3
0.505
RUT-UNI-630c5802-4
0.505
RUT-UNI-630c5802-12
0.476
RUT-UNI-630c5802-11
0.472
RUT-UNI-630c5802-16
0.444
PET-UNK-55f647aa-3
0.432
RUT-UNI-630c5802-15
0.431
ALP-POS-c0c213c9-14
0.427
RUT-UNI-630c5802-1
0.386
RUT-UNI-630c5802-9
0.364
ALP-POS-bad7201a-4
0.358
MAD-UNK-84a4f939-1
0.351
MAD-UNK-b1ea4171-1
0.351
RUT-UNI-630c5802-13
0.345
NAU-LAT-64f4b287-9
0.341
WIL-UNI-5578df48-8
0.340
ALP-POS-c0c213c9-10
0.333
CHR-SOS-7098f804-9
0.329
RAL-THA-d07c7800-1
0.328
RAL-THA-d07c7800-4
0.325
RAL-THA-d07c7800-5
0.322
CHR-SOS-7098f804-6
0.322
WIL-UNI-5578df48-3
0.320
KEI-TRE-d5e2018a-71
0.315
KEI-TRE-d5e2018a-56
0.312
RAL-THA-d07c7800-6
0.312
KEI-TRE-d5e2018a-91
0.308
KEI-TRE-d5e2018a-100
0.308
MIC-SGC-657978c3-3
0.308
ALP-POS-c0c213c9-19
0.307
DUN-NEW-f8ce3686-19
0.307
MIC-SGC-657978c3-1
0.307
KEI-TRE-d5e2018a-82
0.303
RAL-THA-d07c7800-2
0.303
ALP-POS-bad7201a-14
0.298
MAR-TRE-9d18ae8c-18
0.298
MIC-SGC-657978c3-2
0.297
ALP-POS-bad7201a-12
0.295
ALP-POS-8ed8d9ec-9
0.295
BAR-COM-4e090d3a-47
0.295
DUN-NEW-f8ce3686-20
0.292
DUN-NEW-f8ce3686-18
0.292
DAR-DIA-fc970077-9
0.290
AAR-UNI-c25c2f1e-82
0.290
GAB-REV-70cc3ca5-13
0.290
MAR-TRE-4f781e27-12
0.289
MIC-SGC-657978c3-4
0.288
SIM-SYN-a98e6a07-2
0.288
MAR-TRE-b77b7921-70
0.287
AAR-POS-fca48359-1
0.286
ALP-POS-02c6a514-11
0.283
ALP-POS-a1bdc92a-1
0.283
BEN-DND-031a96cc-8
0.283
ALP-POS-02c6a514-56
0.282
MAR-LAB-efb042c5-6
0.280
MIC-SGC-657978c3-5
0.279
ANT-DIA-3c79be55-2
0.278
ALP-POS-bad7201a-6
0.277
AAR-UNI-c25c2f1e-2
0.277
MAR-TRE-8190bb11-69
0.277
LON-WEI-adc59df6-40
0.276
IAN-BAS-5ff43d1c-1
0.275
MAR-TRE-4b834d9a-57
0.275
MIC-SGC-657978c3-7
0.275
EMI-TUK-a58865cc-5
0.275
MAR-TRE-66ac689e-51
0.275
RAL-THA-d07c7800-3
0.274
WAR-XCH-b0339bbe-21
0.274
KEI-TRE-d5e2018a-28
0.274
MAR-TRE-f6f5f473-29
0.274
ALP-POS-a3de0cb1-1
0.274
MIC-SGC-657978c3-8
0.273
MAR-TRE-4f781e27-1
0.273
SAN-PRS-52b81272-2
0.272
ALP-POS-a3de0cb1-9
0.271
ALP-POS-8ed8d9ec-13
0.271
JUL-TUD-06b2044f-43
0.270
MAR-TRE-9d18ae8c-35
0.269
EMI-TUK-a58865cc-7
0.269
ALP-POS-75715966-4
0.268
BEN-DND-031a96cc-1
0.268
MAR-TRE-6a44bbf2-71
0.267
MAR-TRE-04c86cea-90
0.266
MAR-TRE-f6f5f473-75
0.266
MAR-TRE-3e4e6814-45
0.266
LON-WEI-adc59df6-13
0.266
BEN-DND-031a96cc-7
0.265
MAR-TRE-4b834d9a-71
0.265
MIC-SGC-657978c3-6
0.265
DUN-NEW-f8ce3686-5
0.264
AAR-UNI-c25c2f1e-9
0.264
WIL-UNI-5578df48-6
0.263
MAR-TRE-4b834d9a-92
0.263
DUN-NEW-f8ce3686-15
0.263