Molecular Properties | |
SMILES: | Cc1cccc(C(=O)NCCNC(=O)Cc2c[nH]c3ccccc23)c1 |
MW: | 335.16 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 73.99 |
cLogP: | 2.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
MAR-UCB-195bc32d-22
0.514
CUN-WAB-25b584ee-2
0.467
MAR-UCB-195bc32d-9
0.443
AAR-UNI-c25c2f1e-89
0.435
AAR-UNI-c25c2f1e-34
0.417
SAN-PRS-3c4a6997-2
0.403
AAR-UNI-c25c2f1e-73
0.391
ANT-OPE-ab37bd51-2
0.384
AAR-UNI-c25c2f1e-94
0.378
MAR-TRE-fd17a9b8-35
0.374
CUN-WAB-25b584ee-1
0.359
MAR-TRE-85681e92-68
0.352
MAR-TRE-36bf7dba-27
0.350
MAR-TRE-36bf7dba-26
0.347
MAR-TRE-fd17a9b8-18
0.347
MAR-TRE-36bf7dba-21
0.346
MAR-TRE-85681e92-53
0.344
ALP-POS-a3de0cb1-15
0.344
NIC-BIO-3276ca7f-7
0.337
MAR-TRE-4f781e27-6
0.337
MAR-TRE-85681e92-69
0.330
RAF-POL-b61b4b25-9
0.329
LON-WEI-4d77710c-20
0.327
LON-WEI-5e7d1b3e-20
0.327
ALP-POS-8ed8d9ec-2
0.327
MAR-TRE-fd17a9b8-10
0.327
MAR-TRE-4f781e27-69
0.326
JOH-MSK-a63bdd1d-10
0.325
MAR-TRE-fd17a9b8-25
0.321
AAR-UNI-c25c2f1e-37
0.320
NIC-BIO-3276ca7f-2
0.319
MAR-UCB-195bc32d-18
0.316
MAR-TRE-fd17a9b8-29
0.316
AAR-UNI-c25c2f1e-26
0.314
JIN-POS-6dc588a4-5
0.311
MAR-TRE-4f781e27-96
0.311
MAR-TRE-f5c2d31c-47
0.311
SUN-WAB-e274cdaf-1
0.311
AAR-UNI-c25c2f1e-72
0.311
AAR-UNI-c25c2f1e-39
0.309
NIM-UNI-310206f0-31
0.306
RED-RED-10c9212c-42
0.306
MAR-TRE-4f39ef4a-5
0.305
MAR-TRE-85681e92-33
0.301
FEL-WAB-fb168420-3
0.301
MAR-TRE-b77b7921-67
0.299
MAR-TRE-4f39ef4a-9
0.296
NIM-UNI-310206f0-49
0.295
ABI-SAT-30e287c1-2
0.294
AAR-UNI-c25c2f1e-83
0.294
WIL-UNI-1faa9b10-29
0.293
BRU-UNI-248b30bc-12
0.291
MAT-POS-162a9720-8
0.291
MAR-TRE-74c6519b-79
0.290
ALP-POS-8ed8d9ec-6
0.290
MAT-POS-b5746674-68
0.290
MAR-UCB-195bc32d-45
0.289
FEL-WAB-fb168420-2
0.287
GAB-REV-df64cf17-18
0.286
SAL-INS-68b48d12-8
0.284
AAR-UNI-c25c2f1e-57
0.282
MAR-TRE-74c6519b-68
0.281
SAL-INS-68b48d12-10
0.279
SAL-INS-68b48d12-7
0.278
YIA-UNI-71f25a82-2
0.277
MAR-TRE-92684b97-53
0.277
MAR-TRE-4f781e27-85
0.276
YIA-UNI-71f25a82-1
0.275
ANT-OPE-ab37bd51-1
0.275
MAK-UNK-37f1d6fa-6
0.274
WIL-UNI-d4749f31-4
0.272
TRY-UNI-1fd04853-5
0.271
RED-RED-10c9212c-33
0.269
NJA-MAN-b9fb953f-5
0.268
MAR-TRE-fd17a9b8-1
0.264
SAL-INS-68b48d12-9
0.263
MAR-TRE-66ac689e-52
0.263
MAR-TRE-7f7bb9f0-83
0.262
SAL-INS-68b48d12-6
0.261
MAR-TRE-be9ff7d2-73
0.260
BRU-UNI-248b30bc-8
0.260
MAT-POS-ea426761-94
0.259
SCO-VAN-260d9628-5
0.258
MAR-TRE-92684b97-67
0.258
MAR-TRE-9d18ae8c-91
0.257
AMI-SHA-0ab64bbd-1
0.255
AMI-SHA-be6e1b75-1
0.255
NAU-LAT-81109c57-8
0.255
TRY-UNI-1fd04853-9
0.255
MAR-TRE-fd17a9b8-41
0.255
AAR-UNI-c25c2f1e-30
0.253
EDJ-MED-c8e7a002-11
0.253
NAU-LAT-a5c7d7cb-10
0.253
GAB-REV-70cc3ca5-17
0.253
MAR-TRE-92684b97-10
0.252
MAK-UNK-be5ffcbc-8
0.250
ROM-UNK-ef52a3c9-4
0.250
MAK-UNK-37f1d6fa-3
0.250
RAL-THA-2d450e86-13
0.250
DUN-NEW-f8ce3686-12
0.250