Molecular Properties | |
SMILES: | CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cncnc1 |
MW: | 323.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 99.77 |
cLogP: | 1.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-4f781e27-69
0.740
MAR-TRE-74c6519b-79
0.529
NIC-BIO-3276ca7f-7
0.494
NIC-BIO-3276ca7f-2
0.488
MAR-TRE-799db12b-12
0.477
MAR-TRE-4f781e27-26
0.477
MAR-TRE-be9ff7d2-10
0.477
MAR-TRE-c317dd82-38
0.472
MAR-TRE-85681e92-33
0.470
MAR-TRE-66ac689e-52
0.465
MAR-TRE-8190bb11-25
0.463
MAR-TRE-f5c2d31c-47
0.451
MAR-TRE-a9136c7b-22
0.451
MAR-TRE-92684b97-97
0.443
MAR-TRE-be9ff7d2-9
0.443
MAR-TRE-4f781e27-94
0.438
MAR-TRE-92684b97-5
0.430
MAR-TRE-4f781e27-5
0.419
MAR-TRE-4f781e27-96
0.417
SAL-INS-68b48d12-10
0.416
MAR-TRE-85681e92-53
0.416
MAR-TRE-4f781e27-27
0.416
YIA-UNI-71f25a82-1
0.414
YIA-UNI-71f25a82-2
0.412
MAR-TRE-85681e92-68
0.409
MAR-UCB-195bc32d-18
0.400
CUN-WAB-25b584ee-1
0.400
MAR-TRE-85681e92-69
0.398
SAN-PRS-3c4a6997-2
0.397
SAL-INS-68b48d12-9
0.394
MAR-TRE-9d18ae8c-91
0.391
SAL-INS-68b48d12-8
0.389
SAL-INS-68b48d12-6
0.385
SAL-INS-68b48d12-7
0.383
MAR-TRE-92684b97-8
0.376
MAR-TRE-92684b97-53
0.375
SUN-WAB-e274cdaf-1
0.374
MAR-TRE-8190bb11-11
0.373
SAL-INS-68b48d12-5
0.373
MAR-TRE-92684b97-10
0.373
MAR-UCB-195bc32d-9
0.369
MAR-TRE-be9ff7d2-21
0.367
MAR-TRE-66ac689e-87
0.367
MAR-TRE-e82e6c98-100
0.365
NJA-MAN-b9fb953f-5
0.362
MAR-TRE-c317dd82-56
0.362
MAR-TRE-4f39ef4a-9
0.362
MAR-TRE-4f781e27-39
0.361
MAR-TRE-8190bb11-48
0.361
MAR-TRE-4f39ef4a-5
0.359
MAR-TRE-85681e92-38
0.359
MAR-TRE-85681e92-64
0.359
MAR-UCB-195bc32d-22
0.358
AAR-UNI-c25c2f1e-73
0.358
CUN-WAB-25b584ee-2
0.354
MAR-TRE-4f781e27-29
0.353
MAR-TRE-be9ff7d2-61
0.352
MAR-TRE-66ac689e-48
0.352
MAR-TRE-85681e92-20
0.351
MAR-TRE-c317dd82-48
0.350
MAR-TRE-8190bb11-98
0.349
MAR-TRE-4f781e27-93
0.348
MAR-TRE-85681e92-45
0.348
MAR-TRE-799db12b-55
0.345
MAR-TRE-4f781e27-56
0.344
MAR-TRE-92684b97-68
0.344
MAR-TRE-85681e92-60
0.344
MAR-TRE-92684b97-41
0.341
MAR-TRE-be9ff7d2-84
0.341
MAR-TRE-be9ff7d2-68
0.341
MAR-TRE-9d18ae8c-94
0.341
MAR-TRE-e82e6c98-20
0.337
MAR-TRE-4f781e27-24
0.337
MAR-TRE-9d18ae8c-8
0.337
MAR-TRE-92684b97-67
0.337
MAR-TRE-8190bb11-70
0.337
MAR-TRE-9d18ae8c-17
0.337
AAR-UNI-c25c2f1e-29
0.337
MAR-TRE-be9ff7d2-73
0.337
WIL-UNI-1faa9b10-29
0.330
MAR-TRE-92684b97-98
0.330
MAR-TRE-66ac689e-91
0.330
MAR-TRE-4f781e27-4
0.330
MAR-TRE-9d18ae8c-86
0.326
MAR-TRE-66ac689e-81
0.326
MAR-TRE-92684b97-51
0.326
AAR-UNI-c25c2f1e-26
0.324
MAR-TRE-4f781e27-44
0.322
MAR-TRE-66ac689e-41
0.322
MAR-TRE-8190bb11-97
0.322
MAR-TRE-e82e6c98-71
0.322
MAR-TRE-36bf7dba-27
0.321
JOH-MSK-a63bdd1d-10
0.321
MAR-TRE-a9136c7b-10
0.320
MAR-TRE-92684b97-46
0.319
MAR-TRE-8190bb11-93
0.319
MAR-TRE-8190bb11-17
0.319
ANT-OPE-ab37bd51-2
0.319
MAR-TRE-a9136c7b-49
0.319
MAR-TRE-be9ff7d2-16
0.318