Molecular Properties | |
SMILES: | O=C(Nc1ccncc1)C1C(c2ccccc2)c2ccccc2CN1C(=O)CCl |
MW: | 405.885 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 3.8018 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-1c77f7a9-6
0.741
DAV-CRI-1c77f7a9-2
0.473
MIH-UNI-e573136b-13
0.469
DAV-CRI-1c77f7a9-1
0.457
DAV-CRI-1c77f7a9-3
0.448
JAV-UNI-4503e1e6-1
0.396
MIH-UNI-e573136b-14
0.387
DAV-CRI-1c77f7a9-5
0.376
DAV-CRI-1c77f7a9-8
0.373
MAK-UNK-702fb7d3-7
0.360
DAV-CRI-1c77f7a9-4
0.358
AAR-POS-0daf6b7e-14
0.352
TRY-UNI-9f475305-12
0.348
MAK-UNK-5d2caa6f-20
0.315
LON-WEI-b2874fec-18
0.310
JAR-IMP-ed466bb3-2
0.307
GIA-UNK-3f36037a-7
0.300
JAR-IMP-ed466bb3-8
0.299
MAR-TRE-6a44bbf2-86
0.292
LON-WEI-120e5cf5-15
0.292
MIH-UNI-e573136b-15
0.291
MIH-UNI-e573136b-10
0.289
DAR-DIA-caba39e3-2
0.287
DAR-DIA-caba39e3-1
0.286
NIR-THE-c331be7a-6
0.286
NIR-THE-c331be7a-1
0.286
MAK-UNK-5d2caa6f-1
0.286
THO-SYG-4e0386bb-1
0.283
MAR-TRE-6a44bbf2-99
0.283
NAU-LAT-64f4b287-4
0.283
MAK-UNK-3f402c2b-23
0.281
DOU-UNK-b5326f8f-15
0.281
NIR-THE-c331be7a-2
0.280
REN-UFA-aaaed2d6-5
0.279
NAU-LAT-64f4b287-5
0.278
DAR-DIA-caba39e3-7
0.276
NIM-UNI-310206f0-22
0.275
MAK-UNK-90d0606b-8
0.275
MIH-UNI-e573136b-9
0.273
NIR-THE-c331be7a-4
0.273
JAR-IMP-ed466bb3-9
0.271
INS-INS-9a4863b0-1
0.267
JAR-IMP-ed466bb3-5
0.267
INS-INS-abeb49e4-1
0.267
MAK-UNK-702fb7d3-13
0.266
LON-WEI-120e5cf5-19
0.265
DAN-LON-a5fc619e-5
0.265
DAR-DIA-caba39e3-8
0.264
JAR-IMP-ed466bb3-17
0.264
MAK-UNK-ec98eaf6-12
0.262
MAK-UNK-90d0606b-9
0.262
MED-COV-4280ac29-20
0.262
AHN-SAT-de2502ba-7
0.261
SAL-INS-1c7a5a55-2
0.261
LON-WEI-120e5cf5-11
0.260
MIH-UNI-e573136b-11
0.260
RAI-NOV-a7d52b4a-2
0.260
MAK-UNK-5d2caa6f-22
0.259
SAL-INS-1c7a5a55-1
0.259
NIM-UNI-310206f0-42
0.259
MAK-UNK-5d2caa6f-16
0.258
REN-UFA-aaaed2d6-3
0.257
REN-UFA-aaaed2d6-4
0.257
JAN-LUN-04aedcc0-6
0.256
REN-UFA-aaaed2d6-6
0.255
JAR-IMP-ed466bb3-3
0.255
DAR-DIA-caba39e3-9
0.255
JAR-IMP-ed466bb3-12
0.254
DRR-IMP-38dce17f-6
0.253
JAG-SYN-9c2cd0bd-9
0.253
DUN-NEW-f8ce3686-22
0.253
MAK-UNK-3e0761f8-1
0.253
REN-UFA-aaaed2d6-2
0.252
IND-SYN-6c8299e8-3
0.252
LON-WEI-120e5cf5-2
0.252
DAV-CRI-3fe943ba-1
0.252
MAK-UNK-5d2caa6f-19
0.252
DAV-CRI-b7083e67-1
0.250
DAV-CRI-3fe943ba-2
0.250
TAT-ENA-80bfd3e5-5
0.250
EDJ-MED-54fbebd8-2
0.250
TAM-UNI-d1c3dd9f-7
0.250
REN-UFA-aaaed2d6-1
0.250
MAK-UNK-702fb7d3-10
0.250
MAK-UNK-3e0761f8-5
0.250
EDJ-MED-139368ae-2
0.250
MAK-UNK-10799360-32
0.248
TAM-UNI-d1c3dd9f-11
0.248
TAM-UNI-d1c3dd9f-8
0.248
MAK-UNK-5d2caa6f-14
0.248
TAT-ENA-80bfd3e5-45
0.248
MAT-POS-fa06b69f-7
0.248
MAK-UNK-5d2caa6f-13
0.248
MAK-UNK-90d0606b-10
0.248
JAR-IMP-ed466bb3-16
0.248
MAK-UNK-702fb7d3-14
0.246
NIM-UNI-310206f0-50
0.246
DAR-DIA-caba39e3-13
0.246
MAK-UNK-10799360-25
0.245
SAL-INS-1c7a5a55-5
0.245