Molecular Properties | |
SMILES: | O=C1N[C@@H](c2ccc(Cl)cc2)C(=O)N1c1cccnc1 |
MW: | 287.05 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
PET-UNK-4dc48bbe-7
0.651
JAN-GHE-83b26c96-18
0.538
PET-UNK-4dc48bbe-8
0.447
PET-UNK-4dc48bbe-1
0.427
MAR-TRE-74c6519b-18
0.371
PET-UNK-7a31b064-6
0.366
PET-UNK-7a31b064-5
0.358
PET-UNK-4dc48bbe-2
0.338
MAK-UNK-9e4a73aa-3
0.329
DAR-DIA-fc970077-7
0.312
NIM-UNI-0ea3b7bf-5
0.312
LON-WEI-120e5cf5-11
0.308
PET-UNK-4dc48bbe-3
0.305
MAR-TRE-04c86cea-13
0.301
MAK-UNK-9e4a73aa-2
0.299
MAR-TRE-04c86cea-17
0.299
DAR-DIA-fc970077-12
0.299
MAR-TRE-74c6519b-26
0.297
EDJ-MED-e66f2cc5-2
0.296
DAR-DIA-fc970077-8
0.295
MAR-TRE-b77b7921-87
0.293
DAR-DIA-fc970077-2
0.289
MAK-UNK-9e4a73aa-18
0.287
RAI-NOV-c18e0037-6
0.287
MAT-POS-1f3f1a6f-5
0.287
DAR-DIA-fc970077-1
0.286
ERI-UCB-ce40166b-22
0.284
EMI-TUK-6c6b371f-1
0.284
EMI-TUK-b780fc43-1
0.284
ERI-UCB-ce40166b-24
0.283
JAN-GHE-d851b096-5
0.282
NIM-UNI-534877e5-1
0.282
DAR-DIA-fc970077-4
0.282
MAR-TRE-2fd8122f-81
0.282
VLA-UCB-1dbca3b4-17
0.281
PET-UNK-4dc48bbe-6
0.281
NIM-UNI-36e12f95-1
0.280
MAK-UNK-9e4a73aa-7
0.279
PET-UNK-94460c07-6
0.279
TAT-ENA-80bfd3e5-49
0.276
MAK-UNK-9e4a73aa-34
0.276
DAR-DIA-fc970077-3
0.275
PET-UNK-4dc48bbe-5
0.275
BEN-DND-031a96cc-1
0.275
DAR-DIA-fc970077-6
0.274
MAR-TRE-2fd8122f-27
0.274
DAR-DIA-fc970077-10
0.274
MAK-UNK-a7b37c5e-4
0.274
VLA-UCB-1dbca3b4-11
0.273
RAI-NOV-c18e0037-3
0.273
RAI-NOV-c18e0037-2
0.271
MAK-UNK-9e4a73aa-23
0.271
MAK-UNK-9e4a73aa-22
0.271
MAK-UNK-9e4a73aa-25
0.271
MAK-UNK-9e4a73aa-26
0.271
MAK-UNK-9e4a73aa-27
0.271
MAK-UNK-9e4a73aa-24
0.271
MAK-UNK-9e4a73aa-19
0.271
MAR-TRE-d0525fbf-90
0.268
MAR-TRE-9c797165-66
0.267
PET-UNK-94460c07-5
0.265
KEI-TRE-d5e2018a-99
0.265
MAR-TRE-67513f76-32
0.265
MAR-TRE-3e4e6814-54
0.264
DAR-DIA-fc970077-5
0.263
BEN-DND-031a96cc-3
0.261
MAK-UNK-9e4a73aa-32
0.261
FOC-CAS-e3a94da8-1
0.261
EDJ-MED-49816e9b-6
0.259
BEN-DND-031a96cc-2
0.258
MAR-TRE-3e4e6814-65
0.258
MAR-TRE-9c797165-7
0.258
MAR-TRE-2fd8122f-48
0.255
NIM-UNI-36e12f95-2
0.255
MAT-POS-a54ce14d-1
0.255
RAL-THA-9041a04d-4
0.255
MAR-TRE-7f7bb9f0-74
0.253
MAR-TRE-2fd8122f-72
0.253
NIM-UNI-0ea3b7bf-1
0.253
MAK-UNK-9e4a73aa-12
0.253
MAK-UNK-9e4a73aa-17
0.253
ALP-POS-ce760d3f-8
0.253
MAR-TRE-2fd8122f-18
0.250
NIM-UNI-36e12f95-3
0.250
KEI-TRE-d5e2018a-77
0.250
MAK-UNK-9e4a73aa-8
0.250
DAR-DIA-fc970077-11
0.250
MAR-TRE-b77b7921-53
0.250
MAK-UNK-9e4a73aa-21
0.250
MAK-UNK-9e4a73aa-33
0.250
PET-UNK-eda34f30-1
0.250
CHR-SOS-7098f804-12
0.250
MAK-UNK-9e4a73aa-20
0.247
MAR-TRE-67513f76-20
0.247
MAK-UNK-9e4a73aa-10
0.247
JOH-IMS-62aeb97d-3
0.247
KTA-UNK-dac325de-1
0.246
MAR-TRE-2fd8122f-8
0.245
MAR-TRE-7f7bb9f0-84
0.245
KEI-TRE-d5e2018a-6
0.245