Molecular Properties | |
SMILES: | O=C(CCl)CC1CNC(=O)N1c1cccnc1 |
MW: | 253.689 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 1.1778 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Ketones
Filter64_halo_ketone_sulfone
aliphatic ketone not ring and not di-carbonyl
Ketone
EMI-TUK-6c6b371f-1
0.382
EMI-TUK-b780fc43-1
0.382
NIM-UNI-36e12f95-1
0.359
PET-UNK-4dc48bbe-1
0.333
NIM-UNI-0ea3b7bf-2
0.326
NIM-UNI-0ea3b7bf-1
0.325
NIM-UNI-36e12f95-2
0.322
NIM-UNI-0ea3b7bf-3
0.318
SIM-SYN-a98e6a07-5
0.314
PET-UNK-4dc48bbe-7
0.312
PET-UNK-4dc48bbe-9
0.312
MAK-UNK-ca11b4f7-1
0.308
MAR-TRE-b77b7921-53
0.306
KEI-TRE-d5e2018a-77
0.306
LON-WEI-120e5cf5-11
0.304
PET-UNK-4dc48bbe-5
0.304
SIM-SYN-a98e6a07-6
0.303
NIM-UNI-0ea3b7bf-4
0.302
NIM-UNI-36e12f95-4
0.293
DAR-DIA-fc970077-8
0.291
MIC-UNK-df342a3f-1
0.290
DAR-DIA-fc970077-3
0.290
MAR-TRE-2fd8122f-27
0.288
ZAC-MCD-b48cf8fd-1
0.286
PET-UNK-4dc48bbe-3
0.286
THO-SYG-f9b2970d-2
0.284
PET-UNK-7a31b064-6
0.284
DRR-IMP-38dce17f-4
0.284
MAR-TRE-7f7bb9f0-53
0.283
DAR-DIA-fc970077-1
0.282
MAK-UNK-2c1752f0-2
0.281
MAK-UNK-9e4a73aa-3
0.281
STE-KUL-2e0d2e88-3
0.280
MAR-TRE-04c86cea-13
0.280
MAR-TRE-9c797165-66
0.279
JAN-GHE-d851b096-5
0.279
DAR-DIA-fc970077-12
0.278
JAN-GHE-83b26c96-18
0.278
THO-SYG-f9b2970d-1
0.278
PET-UNK-94460c07-5
0.277
NIM-UNI-36e12f95-3
0.277
MAR-TRE-9c797165-22
0.277
MAR-TRE-74c6519b-18
0.276
PET-UNK-7a31b064-5
0.276
MAR-TRE-a9136c7b-47
0.276
DAR-DIA-fc970077-7
0.275
MAR-TRE-7f7bb9f0-72
0.275
MAR-TRE-4b834d9a-74
0.275
MAR-TRE-b77b7921-87
0.274
NIM-UNI-36e12f95-5
0.274
PEI-IMP-ca0b2813-1
0.273
DAR-DIA-fc970077-10
0.270
DAR-DIA-fc970077-6
0.270
THO-SYG-f9b2970d-4
0.270
DAR-DIA-fc970077-2
0.269
MAR-TRE-9c797165-7
0.269
PET-UNK-4dc48bbe-2
0.268
MAR-TRE-a9136c7b-86
0.267
ERI-UCB-ce40166b-24
0.266
MAK-UNK-10dfa458-35
0.265
MAR-TRE-3e4e6814-59
0.264
THO-SYG-f9b2970d-3
0.264
WAR-XCH-b0339bbe-19
0.263
THO-SYG-f9b2970d-5
0.263
DAN-PUR-3907f623-3
0.263
PET-UNK-94460c07-6
0.261
NIM-UNI-7f77122c-1
0.261
DAV-CRI-1c77f7a9-3
0.260
MAR-TRE-74c6519b-26
0.260
DAR-DIA-fc970077-5
0.260
ALE-HEI-f28a35b5-9
0.260
FRA-FAC-9ed5a63a-1
0.260
AAR-POS-d2a4d1df-13
0.260
MAK-UNK-ec98eaf6-20
0.258
TAT-ENA-80bfd3e5-49
0.258
MED-UNK-e6e8ef8a-5
0.256
RAI-NOV-c18e0037-7
0.256
MAK-UNK-5d2caa6f-1
0.256
BEN-DND-031a96cc-2
0.256
MAR-TRE-3e4e6814-45
0.256
THO-SYG-f9b2970d-7
0.255
ERI-UCB-ce40166b-22
0.255
MED-UNK-e6e8ef8a-3
0.253
MED-UNK-e6e8ef8a-2
0.253
FRA-FAC-9ed5a63a-2
0.253
WAR-XCH-79d12f6e-8
0.253
MAK-UNK-9e4a73aa-18
0.253
MAK-UNK-9e4a73aa-35
0.253
JOR-UNI-2fc98d0b-4
0.253
RAL-THA-9041a04d-4
0.253
WAR-XCH-bdd24732-16
0.253
MAT-POS-a54ce14d-1
0.253
NIM-UNI-534877e5-2
0.252
JOH-IMS-62aeb97d-5
0.250
JOH-IMS-62aeb97d-4
0.250
MAK-UNK-5d2caa6f-11
0.250
MAR-TRE-b77b7921-80
0.250
MAR-TRE-9c797165-48
0.250
DAR-DIA-842b4336-4
0.250
SEA-TRI-8ad086cf-1
0.250