Molecular Properties | |
SMILES: | CCC(C)C(C(=O)O)N(C(=O)Cc1c[nH]c2ccccc12)c1cncnc1 |
MW: | 366.17 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 99.18 |
cLogP: | 3.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-85681e92-53
0.803
MAR-TRE-85681e92-68
0.703
MAR-TRE-85681e92-33
0.476
MAR-TRE-4f781e27-69
0.433
ALP-POS-a3de0cb1-15
0.419
MAR-UCB-195bc32d-22
0.400
MAR-TRE-4f781e27-6
0.398
MAR-UCB-195bc32d-9
0.393
ALP-POS-8ed8d9ec-2
0.384
CUN-WAB-25b584ee-2
0.378
SAN-PRS-3c4a6997-2
0.370
ALP-POS-8ed8d9ec-6
0.369
MAR-TRE-36bf7dba-21
0.362
MAR-UCB-195bc32d-18
0.354
MAR-TRE-66ac689e-52
0.347
JOH-MSK-a63bdd1d-10
0.346
NIM-UNI-310206f0-49
0.345
MAR-TRE-f5c2d31c-47
0.344
MAR-TRE-8190bb11-25
0.341
ANT-OPE-ab37bd51-2
0.341
MAR-TRE-36bf7dba-26
0.337
NIM-UNI-310206f0-31
0.333
AAR-UNI-c25c2f1e-29
0.330
MAR-TRE-4f781e27-96
0.330
MAR-TRE-92684b97-10
0.327
MAR-TRE-36bf7dba-27
0.327
MAR-TRE-9d18ae8c-91
0.327
MAR-TRE-4f39ef4a-5
0.323
MAR-TRE-74c6519b-79
0.320
CUN-WAB-25b584ee-1
0.320
FEL-WAB-fb168420-3
0.317
MAR-TRE-b77b7921-67
0.315
SUN-WAB-e274cdaf-1
0.314
MAR-TRE-a9136c7b-22
0.314
MAR-TRE-4f39ef4a-9
0.313
NIC-BIO-3276ca7f-7
0.312
AAR-UNI-c25c2f1e-34
0.311
RED-RED-10c9212c-33
0.311
RED-RED-10c9212c-42
0.310
NIC-BIO-3276ca7f-2
0.309
AAR-UNI-c25c2f1e-26
0.306
YIA-UNI-71f25a82-2
0.304
GAB-REV-df64cf17-18
0.303
MAR-TRE-4f781e27-94
0.300
MAR-TRE-85681e92-12
0.296
MAT-POS-162a9720-8
0.295
MAR-TRE-92684b97-53
0.295
LON-WEI-5e7d1b3e-20
0.294
LON-WEI-4d77710c-20
0.294
MAR-TRE-fd17a9b8-35
0.293
MAR-TRE-85681e92-10
0.292
YIA-UNI-71f25a82-1
0.291
MAR-TRE-be9ff7d2-73
0.290
MAR-TRE-4f781e27-5
0.288
MAR-TRE-fd17a9b8-18
0.287
MAT-POS-ea426761-94
0.287
MAR-TRE-f6f5f473-6
0.287
AAR-UNI-c25c2f1e-73
0.284
WIL-UNI-1faa9b10-29
0.284
NJA-MAN-b9fb953f-5
0.283
MAR-TRE-85681e92-38
0.283
MAR-TRE-799db12b-12
0.282
MAR-TRE-4f781e27-26
0.282
MAR-TRE-9d18ae8c-80
0.281
MAR-TRE-c317dd82-38
0.279
FEL-WAB-fb168420-2
0.279
SAL-INS-68b48d12-9
0.278
AAR-UNI-c25c2f1e-72
0.278
MAR-TRE-be9ff7d2-10
0.277
MAR-TRE-be9ff7d2-9
0.277
MAR-TRE-85681e92-20
0.277
MAR-TRE-92684b97-67
0.276
MAR-TRE-c317dd82-56
0.275
MAR-TRE-85681e92-45
0.273
BRU-UNI-248b30bc-12
0.272
SAL-INS-68b48d12-10
0.272
MAR-TRE-85681e92-41
0.271
MAR-TRE-85681e92-64
0.270
MAR-TRE-85681e92-60
0.270
MAR-TRE-66ac689e-15
0.269
MAR-TRE-fd17a9b8-10
0.267
MAR-TRE-92684b97-97
0.265
SAL-INS-68b48d12-5
0.264
SAL-INS-68b48d12-6
0.264
MAR-TRE-92684b97-5
0.263
LON-WEI-4d77710c-3
0.261
LON-WEI-5e7d1b3e-3
0.261
SAL-INS-68b48d12-7
0.261
MAR-TRE-4f781e27-83
0.260
MAR-TRE-be9ff7d2-7
0.260
MAR-TRE-85681e92-35
0.259
MAR-TRE-fd17a9b8-25
0.258
MAR-TRE-4f781e27-23
0.257
MAR-TRE-4f781e27-27
0.255
ANT-OPE-ab37bd51-1
0.253
MAR-TRE-92684b97-96
0.253
ALP-POS-a3de0cb1-14
0.252
MAR-TRE-799db12b-63
0.250
MAR-TRE-9d18ae8c-17
0.250
MAR-TRE-9d18ae8c-74
0.250