Molecular Properties | |
SMILES: | O=C(O)CNC(=O)Cc1c[nH]c2ccccc12 |
MW: | 232.08 |
Fraction sp3: | 0.17 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 82.19 |
cLogP: | 0.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7715360013 |
MolPort: | MolPort-001-788-906 |
CUN-WAB-25b584ee-2
0.603
MAR-UCB-195bc32d-9
0.590
AAR-UNI-c25c2f1e-29
0.514
SAN-PRS-3c4a6997-2
0.492
AAR-UNI-c25c2f1e-34
0.451
MAR-TRE-85681e92-53
0.421
ANT-OPE-ab37bd51-2
0.417
JOH-MSK-a63bdd1d-10
0.417
MAR-TRE-85681e92-68
0.413
NIC-BIO-3276ca7f-7
0.413
AAR-UNI-c25c2f1e-73
0.405
MAR-UCB-195bc32d-18
0.403
MAR-TRE-f5c2d31c-47
0.403
MAR-TRE-36bf7dba-26
0.400
MAR-TRE-85681e92-69
0.400
ALP-POS-a3de0cb1-15
0.400
NIC-BIO-3276ca7f-2
0.390
MAR-TRE-36bf7dba-27
0.386
CUN-WAB-25b584ee-1
0.385
MAR-TRE-fd17a9b8-35
0.385
MAR-TRE-fd17a9b8-18
0.384
MAR-TRE-36bf7dba-21
0.382
MAR-TRE-fd17a9b8-10
0.378
MAR-TRE-85681e92-33
0.368
MAR-TRE-4f781e27-69
0.362
FEL-WAB-fb168420-2
0.361
ALP-POS-8ed8d9ec-2
0.360
FEL-WAB-fb168420-3
0.360
ALP-POS-8ed8d9ec-6
0.360
MAR-TRE-4f781e27-6
0.358
AAR-UNI-c25c2f1e-72
0.356
MAR-TRE-4f39ef4a-5
0.354
ABI-SAT-30e287c1-2
0.348
MAR-TRE-4f781e27-96
0.347
LON-WEI-5e7d1b3e-20
0.344
LON-WEI-4d77710c-20
0.344
MAT-POS-162a9720-8
0.343
MAR-TRE-4f39ef4a-9
0.341
SUN-WAB-e274cdaf-1
0.341
YIA-UNI-71f25a82-1
0.341
WIL-UNI-1faa9b10-29
0.337
RED-RED-10c9212c-42
0.337
RED-RED-10c9212c-33
0.337
NIM-UNI-310206f0-31
0.333
MAR-TRE-74c6519b-79
0.333
BRU-UNI-248b30bc-12
0.330
AAR-UNI-c25c2f1e-26
0.330
GAB-REV-df64cf17-18
0.329
SAL-INS-68b48d12-7
0.327
MAR-TRE-b77b7921-67
0.326
MAR-TRE-74c6519b-68
0.325
MAR-TRE-fd17a9b8-25
0.323
NIM-UNI-310206f0-49
0.320
YIA-UNI-71f25a82-2
0.312
JIN-POS-6dc588a4-5
0.312
SAL-INS-68b48d12-9
0.309
MAT-POS-ea426761-94
0.308
SAL-INS-68b48d12-8
0.307
SAL-INS-68b48d12-10
0.302
SCO-VAN-260d9628-5
0.301
MAR-TRE-fd17a9b8-29
0.301
MAR-TRE-fd17a9b8-1
0.298
MAR-TRE-9d18ae8c-91
0.294
MAR-TRE-f6f5f473-6
0.293
SAL-INS-68b48d12-6
0.291
SAL-INS-68b48d12-5
0.291
MAR-TRE-8190bb11-25
0.291
MAK-UNK-be5ffcbc-8
0.289
GAB-REV-70cc3ca5-17
0.289
NJA-MAN-b9fb953f-5
0.289
MAR-TRE-92684b97-53
0.287
RED-RED-10c9212c-54
0.287
MAR-UCB-195bc32d-45
0.286
ANT-OPE-ab37bd51-1
0.286
SAN-PRS-3c4a6997-1
0.284
MAR-TRE-3159af1a-9
0.282
BUT-SEX-9e782cc8-1
0.281
NAU-LAT-81109c57-8
0.278
TRY-UNI-1fd04853-7
0.278
RED-RED-10c9212c-9
0.277
GIA-UNK-3f36037a-5
0.275
MAR-TRE-fd17a9b8-41
0.274
DUN-NEW-f8ce3686-12
0.273
JOH-MEM-4bb7e4cc-1
0.273
MAT-GIT-deadff56-1
0.273
MAR-TRE-3159af1a-41
0.271
MAR-TRE-66ac689e-52
0.271
JOH-MSK-a63bdd1d-4
0.270
MAR-UCB-195bc32d-16
0.270
TRY-UNI-1fd04853-8
0.268
WIL-UNI-d4749f31-4
0.267
AAR-POS-d2a4d1df-2
0.267
JUR-SOU-0920801e-6
0.267
MAR-TRE-04c86cea-51
0.267
TRY-UNI-1fd04853-5
0.265
TRY-UNI-1fd04853-11
0.265
MAR-TRE-3159af1a-8
0.263
TRY-UNI-1fd04853-9
0.262
MAR-UCB-195bc32d-4
0.260
JOH-MSK-35a8745a-1
0.260