Molecular Properties | |
SMILES: | NC(=O)c1cccc(CNC(=O)NCc2cnn(-c3ccccc3)c2)c1 |
MW: | 349.15 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 102.04 |
cLogP: | 1.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-UNI-c25c2f1e-49
0.537
MAR-TRE-6a44bbf2-70
0.521
AAR-UNI-c25c2f1e-7
0.477
MAR-TRE-6a44bbf2-44
0.405
AAR-UNI-c25c2f1e-2
0.349
AAR-UNI-c25c2f1e-78
0.333
AAR-UNI-c25c2f1e-35
0.330
AAR-UNI-c25c2f1e-82
0.318
MAR-TRE-2fd8122f-47
0.316
AAR-UNI-c25c2f1e-12
0.304
ANN-UNI-98d2bf15-2
0.297
MAT-POS-ea426761-78
0.290
AAR-UNI-c25c2f1e-65
0.289
AAR-UNI-c25c2f1e-31
0.286
MAR-TRE-3e4e6814-22
0.282
MAR-TRE-9d18ae8c-52
0.281
BAR-COM-0f94fc3d-42
0.275
MAR-TRE-04c86cea-34
0.275
ALP-POS-95f71980-26
0.274
MAR-TRE-3e4e6814-16
0.272
MAR-TRE-9d18ae8c-18
0.271
MAR-TRE-66ac689e-33
0.268
GAB-REV-df64cf17-1
0.268
MAT-POS-3b92565d-13
0.268
BAR-COM-0f94fc3d-33
0.265
IAN-BAS-647c7407-1
0.264
WIL-UNI-1faa9b10-46
0.261
WIL-UNI-1faa9b10-51
0.261
MAK-UNK-009ebe36-7
0.260
MAK-UNK-2c1752f0-1
0.258
AAR-UNI-c25c2f1e-18
0.258
MAT-POS-162a9720-1
0.256
WIL-UNI-1faa9b10-47
0.255
UNK-CYC-68f84b31-3
0.255
SAD-SAT-135344c3-9
0.252
UNK-CYC-68f84b31-52
0.252
AAR-UNI-c25c2f1e-5
0.250
ALP-POS-76eab5ce-2
0.250
MAR-TRE-799db12b-69
0.250
MAR-TRE-04c86cea-58
0.250
JOO-IND-9269dfbd-2
0.248
MAR-TRE-04c86cea-60
0.248
MAR-TRE-66ac689e-54
0.248
BEN-DND-1e24cf73-3
0.247
MAR-TRE-9d18ae8c-65
0.245
MAR-TRE-9d18ae8c-46
0.245
AAR-UNI-c25c2f1e-56
0.245
AAR-UNI-c25c2f1e-51
0.244
JOO-IND-9269dfbd-1
0.243
MAR-TRE-799db12b-76
0.243
MAR-TRE-799db12b-18
0.240
AAR-UNI-c25c2f1e-59
0.240
TRI-UNI-97428359-1
0.240
AAR-UNI-c25c2f1e-23
0.240
MAR-TRE-66ac689e-1
0.240
UNK-CYC-68f84b31-6
0.239
MAR-TRE-9d18ae8c-43
0.238
AAR-UNI-c25c2f1e-64
0.238
MAR-TRE-799db12b-27
0.237
BEN-DND-1e24cf73-1
0.237
NAU-LAT-64f4b287-9
0.235
MAT-POS-90fd5f68-19
0.235
MAR-TRE-799db12b-97
0.235
AAR-UNI-c25c2f1e-80
0.235
BAR-COM-4e090d3a-60
0.235
MAR-TRE-f6f5f473-90
0.235
MAR-TRE-f6f5f473-94
0.235
AAR-UNI-c25c2f1e-9
0.235
NAU-LAT-e1818702-8
0.235
MAT-POS-c79fcd02-1
0.234
BEN-VAN-5787f7d3-5
0.234
RAL-MED-2de63afb-12
0.234
AAR-UNI-c25c2f1e-24
0.234
MAR-TRE-92684b97-66
0.233
AAR-UNI-c25c2f1e-43
0.233
AAR-UNI-c25c2f1e-74
0.233
BAR-COM-4e090d3a-29
0.232
MAR-TRE-799db12b-24
0.232
AAR-UNI-c25c2f1e-70
0.232
MAR-TRE-799db12b-3
0.232
MAR-TRE-8190bb11-34
0.232
EMI-TUK-a58865cc-1
0.232
AAR-UNI-c25c2f1e-3
0.232
MAK-UNK-10dfa458-35
0.232
UNK-CYC-68f84b31-54
0.231
MAR-TRE-4f781e27-2
0.230
MAR-TRE-9d18ae8c-30
0.230
UNK-CYC-68f84b31-70
0.229
MAK-UNK-10dfa458-36
0.229
MAR-TRE-66ac689e-37
0.229
MAR-TRE-66ac689e-73
0.229
AAR-UNI-c25c2f1e-102
0.229
MAK-UNK-30aad1f1-3
0.228
MEL-NAT-8c3652c8-5
0.228
MAK-UNK-30aad1f1-2
0.228
VLA-UNK-c3e99b7a-4
0.227
MAR-TRE-799db12b-44
0.227
MAR-TRE-9d18ae8c-53
0.227
NIC-UNI-0cb6411b-1
0.226
MAR-TRE-799db12b-51
0.225