Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)C1CC2CC1CN2C(=O)C(Cl)Cc1cccnc1 |
MW: | 383.14 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
secondary_halide_sulfate
MED-COV-4280ac29-15
MAK-UNK-10799360-25
0.655
BEN-DND-031a96cc-1
0.539
MAK-UNK-5d2caa6f-20
0.537
MAK-UNK-5d2caa6f-1
0.506
MAK-UNK-5d2caa6f-16
0.409
MAK-UNK-90d0606b-8
0.389
MAK-UNK-3e0761f8-1
0.385
MAK-UNK-5d2caa6f-17
0.370
MAK-UNK-3e0761f8-5
0.361
BEN-DND-031a96cc-2
0.357
MAK-UNK-90d0606b-10
0.357
MAK-UNK-90d0606b-9
0.347
MAK-UNK-3f402c2b-19
0.344
MAK-UNK-5d2caa6f-19
0.343
MAR-TRE-74c6519b-51
0.340
MAK-UNK-5d2caa6f-22
0.340
MAK-UNK-5d2caa6f-14
0.336
MAK-UNK-5d2caa6f-21
0.333
MAK-UNK-90d0606b-2
0.330
MAK-UNK-5d2caa6f-13
0.327
MAR-TRE-d0525fbf-91
0.326
MAK-UNK-ec98eaf6-5
0.325
MAR-TRE-74c6519b-47
0.323
BEN-DND-031a96cc-3
0.320
MAK-UNK-5d2caa6f-18
0.319
SAN-PRS-52b81272-2
0.318
AAR-POS-d2a4d1df-11
0.317
WIL-UNI-5578df48-8
0.315
DUN-NEW-d8381160-1
0.309
LON-WEI-120e5cf5-11
0.309
WIL-UNI-5578df48-3
0.309
WIL-UNI-5578df48-11
0.309
MAR-TRE-2fd8122f-16
0.308
MAR-TRE-3e4e6814-54
0.308
MAR-TRE-04c86cea-46
0.307
MAR-TRE-9c797165-8
0.306
ADA-UNI-f8e79267-5
0.305
CHR-SOS-59746812-1
0.302
MAK-UNK-c749d764-13
0.302
MAR-TRE-9c797165-80
0.301
MAK-UNK-009ebe36-8
0.301
LON-WEI-120e5cf5-15
0.300
MAR-TRE-6a44bbf2-86
0.300
DAV-CRI-1c77f7a9-6
0.300
CHR-SOS-59746812-5
0.299
BEN-DND-031a96cc-8
0.299
NAU-LAT-64f4b287-9
0.299
MIC-SGC-657978c3-3
0.297
MAK-UNK-b2c98f02-5
0.296
BEN-DND-031a96cc-6
0.296
MIC-SGC-657978c3-1
0.296
MAR-TRE-2fd8122f-39
0.291
THO-SYG-f9b2970d-2
0.291
MAR-TRE-2fd8122f-50
0.291
THO-SYG-f9b2970d-6
0.291
MAK-UNK-3e0761f8-3
0.291
ADA-UNI-f8e79267-2
0.290
BEN-DND-031a96cc-7
0.290
MAK-UNK-5d2caa6f-15
0.290
JIA-UNI-12b1f9ae-2
0.290
MAR-TRE-f6f5f473-84
0.289
MAK-UNK-a7b37c5e-1
0.286
DRE-WAB-ae4a693c-1
0.286
BEN-DND-362d364a-12
0.286
JOH-IMS-62aeb97d-3
0.286
PET-SGC-d0156db4-1
0.286
PET-SGC-b0f8bd49-1
0.286
MAK-UNK-b2c98f02-9
0.284
AHN-SAT-de2502ba-7
0.284
JIA-UNI-9972d268-3
0.283
MAR-TRE-67513f76-20
0.283
EDG-MED-0da5ad92-2
0.283
DAR-DIA-842b4336-11
0.283
BAR-COM-5694a99d-1
0.282
MAK-UNK-3e0761f8-8
0.281
CHR-SOS-59746812-2
0.281
CHR-SOS-f7373dd1-4
0.281
MAK-UNK-a7b37c5e-4
0.281
MAR-TRE-2fd8122f-27
0.281
DAR-DIA-43a5904b-14
0.281
MAK-UNK-b2c98f02-8
0.281
MIC-SGC-657978c3-5
0.280
MAK-UNK-a7b37c5e-2
0.280
DAR-DIA-43a5904b-13
0.279
CHR-SOS-59746812-6
0.278
AUS-ARG-7cfdce8f-11
0.278
DAR-DIA-fc970077-9
0.278
WIL-UNI-5578df48-6
0.278
DRR-IMP-38dce17f-4
0.278
SIM-SYN-a98e6a07-2
0.277
CHR-SOS-f7373dd1-5
0.277
MAR-TRE-04c86cea-17
0.276
CHR-SOS-f7373dd1-1
0.276
MIC-SGC-657978c3-7
0.276
ADA-UNI-f8e79267-6
0.276
NAU-LAT-445f63e5-1
0.275
JAG-SYN-9c2cd0bd-4
0.275
DAR-DIA-842b4336-10
0.275
JAG-SYN-9c2cd0bd-9
0.275
JAG-SYN-9c2cd0bd-14
0.275