Molecular Properties | |
SMILES: | CNC(=O)c1ccc(CNC(=O)NCCc2c[nH]c3ccccc23)cc1 |
MW: | 350.17 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 86.02 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAN-PRS-3c4a6997-2
0.549
MAR-TRE-fd17a9b8-35
0.512
AAR-UNI-c25c2f1e-72
0.505
AAR-UNI-c25c2f1e-28
0.449
LON-WEI-5e7d1b3e-20
0.443
LON-WEI-4d77710c-20
0.443
AAR-UNI-c25c2f1e-26
0.429
MAR-TRE-fd17a9b8-10
0.419
AAR-UNI-c25c2f1e-27
0.418
MAR-UCB-195bc32d-22
0.405
MAR-TRE-fd17a9b8-18
0.394
AAR-UNI-c25c2f1e-29
0.391
NIC-BIO-3276ca7f-7
0.389
MAR-TRE-fd17a9b8-25
0.389
JOH-MSK-a63bdd1d-10
0.387
CUN-WAB-25b584ee-2
0.366
AAR-UNI-c25c2f1e-12
0.364
MAR-TRE-4f781e27-6
0.358
NIC-BIO-3276ca7f-2
0.355
RED-RED-10c9212c-42
0.354
MAR-UCB-195bc32d-9
0.349
DUN-NEW-f8ce3686-12
0.345
JOH-MEM-4bb7e4cc-1
0.345
MAT-GIT-deadff56-1
0.345
ANT-OPE-ab37bd51-2
0.344
SUN-WAB-e274cdaf-1
0.343
JON-UNI-4b544d07-6
0.337
CUN-WAB-25b584ee-1
0.337
ALP-POS-a3de0cb1-15
0.337
FEL-WAB-fb168420-3
0.333
FEL-WAB-fb168420-2
0.333
AAR-UNI-c25c2f1e-34
0.327
RED-RED-10c9212c-33
0.327
SAN-PRS-3c4a6997-1
0.326
AAR-POS-d2a4d1df-2
0.326
FRA-LAB-04e32718-1
0.323
MAR-TRE-4f781e27-69
0.320
MAR-TRE-f5c2d31c-47
0.319
MAR-TRE-fd17a9b8-1
0.318
JOH-MSK-a63bdd1d-4
0.314
MAR-UCB-195bc32d-16
0.314
AAR-UNI-c25c2f1e-51
0.310
ROM-UNK-ef52a3c9-4
0.309
MAK-UNK-37f1d6fa-7
0.309
MAR-UCB-195bc32d-18
0.309
MAR-TRE-85681e92-33
0.309
AAR-UNI-c25c2f1e-97
0.308
ALP-POS-8ed8d9ec-2
0.308
YIA-UNI-71f25a82-2
0.306
MAR-TRE-b77b7921-67
0.306
NAU-LAT-81109c57-8
0.304
ALE-ACE-2610ee4d-1
0.303
MAR-UCB-195bc32d-21
0.303
JOH-MSK-35a8745a-1
0.303
MAR-TRE-85681e92-68
0.302
MAT-POS-ea426761-94
0.302
NAU-LAT-81109c57-1
0.301
MAK-UNK-be5ffcbc-8
0.300
MAR-TRE-4f39ef4a-5
0.299
MAT-POS-162a9720-8
0.299
NAU-LAT-30527ac5-6
0.297
BRU-UNI-248b30bc-12
0.297
SAL-INS-68b48d12-10
0.297
MAR-TRE-74c6519b-79
0.297
ALP-POS-8ed8d9ec-6
0.296
MAR-TRE-85681e92-53
0.296
SAL-INS-68b48d12-7
0.296
MAR-TRE-fd17a9b8-91
0.295
YIA-UNI-71f25a82-1
0.294
MAR-TRE-be9ff7d2-73
0.293
SAL-INS-68b48d12-9
0.292
MAR-TRE-92684b97-67
0.292
MAR-TRE-36bf7dba-21
0.291
MAK-UNK-37f1d6fa-3
0.291
MAR-TRE-c317dd82-56
0.290
MAR-TRE-4f39ef4a-9
0.290
MAR-TRE-36bf7dba-26
0.290
MAK-UNK-37f1d6fa-2
0.290
SAL-INS-68b48d12-5
0.288
SAL-INS-68b48d12-6
0.288
JOH-MSK-a63bdd1d-5
0.287
MAR-TRE-fd17a9b8-41
0.284
MAR-TRE-85681e92-69
0.284
NAU-LAT-81109c57-4
0.284
MAR-TRE-36bf7dba-27
0.282
GAB-REV-4a4e2ff3-8
0.282
MAK-UNK-be5ffcbc-3
0.282
MAK-UNK-37f1d6fa-6
0.281
MAK-UNK-37f1d6fa-4
0.281
GAB-REV-df64cf17-18
0.280
SAL-INS-68b48d12-8
0.280
MAR-TRE-f6f5f473-6
0.278
MAR-TRE-4f781e27-96
0.277
JIN-POS-6dc588a4-5
0.277
MAK-UNK-be5ffcbc-7
0.275
NJA-MAN-b9fb953f-5
0.274
DUN-NEW-f8ce3686-21
0.274
JOH-MSK-a63bdd1d-1
0.272
MAR-TRE-fd17a9b8-29
0.270
MAK-UNK-be5ffcbc-1
0.270