Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)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-1c77f7a9-7
0.741
DAV-CRI-1c77f7a9-2
0.591
DAV-CRI-1c77f7a9-1
0.522
DAV-CRI-1c77f7a9-3
0.511
MIH-UNI-e573136b-13
0.469
JAV-UNI-4503e1e6-1
0.457
MAK-UNK-5d2caa6f-1
0.433
DAV-CRI-1c77f7a9-8
0.430
DAV-CRI-1c77f7a9-5
0.420
DAV-CRI-1c77f7a9-4
0.413
LON-WEI-120e5cf5-11
0.409
MAK-UNK-702fb7d3-7
0.407
MIH-UNI-e573136b-14
0.389
MAR-TRE-74c6519b-51
0.379
MAK-UNK-ca11b4f7-1
0.342
AAR-POS-0daf6b7e-14
0.341
MAR-TRE-9c797165-80
0.341
MAR-TRE-f6f5f473-78
0.341
THO-SYG-f9b2970d-2
0.340
TRY-UNI-9f475305-12
0.339
MAR-TRE-2fd8122f-27
0.337
THO-SYG-f9b2970d-1
0.333
MAR-TRE-74c6519b-47
0.333
LON-WEI-b2874fec-25
0.330
MAR-TRE-f6f5f473-31
0.330
MAR-TRE-04c86cea-46
0.330
AAR-POS-d2a4d1df-11
0.329
MAR-TRE-f6f5f473-84
0.326
GER-FIO-88d97d8c-1
0.320
MAK-UNK-5d2caa6f-20
0.319
MAR-TRE-3e4e6814-54
0.317
MAK-UNK-702fb7d3-13
0.316
THO-SYG-f9b2970d-5
0.315
MAR-TRE-2fd8122f-74
0.315
JOR-UNI-2fc98d0b-16
0.314
SAN-PRS-52b81272-2
0.314
SAN-PRS-52b81272-3
0.314
CHR-SOS-f7373dd1-1
0.312
MAK-UNK-a7b37c5e-1
0.311
CHR-SOS-59746812-5
0.309
JAG-UCB-a3ef7265-7
0.309
JOH-IMS-62aeb97d-5
0.309
KEI-TRE-d5e2018a-38
0.308
MAR-TRE-2fd8122f-63
0.308
MAR-TRE-74c6519b-42
0.307
DAR-DIA-842b4336-2
0.307
MAR-TRE-67513f76-20
0.306
MAR-TRE-2fd8122f-16
0.306
RED-RED-10c9212c-5
0.306
CHR-SOS-f7373dd1-4
0.305
MAR-TRE-f6f5f473-6
0.305
MAR-TRE-9c797165-46
0.304
ALE-HEI-f28a35b5-16
0.303
JOH-IMS-62aeb97d-4
0.303
AUS-ARG-7cfdce8f-11
0.303
CHR-SOS-70e4c98a-1
0.303
WIL-UNI-5578df48-2
0.302
ALE-HEI-f28a35b5-14
0.302
MAR-TRE-04c86cea-86
0.302
FOC-CAS-e3a94da8-1
0.302
MAR-TRE-2fd8122f-64
0.302
MAR-TRE-2fd8122f-59
0.302
MAR-TRE-2fd8122f-50
0.301
THO-SYG-f9b2970d-6
0.300
MAR-TRE-2fd8122f-90
0.300
MAR-TRE-67513f76-81
0.300
MAK-UNK-10799360-24
0.300
TAM-UNI-c140e31a-7
0.299
ADA-UNI-f8e79267-6
0.299
CHR-SOS-7098f804-14
0.299
MAR-TRE-d0525fbf-90
0.299
MAK-UNK-c749d764-13
0.299
CHR-SOS-59746812-1
0.299
JAR-IMP-ed466bb3-2
0.298
MAK-UNK-009ebe36-8
0.298
SAD-SAT-cefd50cc-1
0.298
MAK-UNK-d1e89583-6
0.298
MAR-TRE-2fd8122f-81
0.298
CHR-SOS-b301fc01-2
0.297
ALE-HEI-f28a35b5-9
0.297
FRA-FAC-9ed5a63a-1
0.297
AAR-POS-d2a4d1df-13
0.297
JOH-IMS-62aeb97d-3
0.297
MAK-UNK-10799360-25
0.296
SAD-SAT-689b7d5a-2
0.296
MAR-TRE-2fd8122f-18
0.296
CHR-SOS-70e4c98a-3
0.296
CHR-SOS-b301fc01-6
0.295
DOU-UNK-b5326f8f-15
0.295
CHR-SOS-70e4c98a-6
0.295
MIK-MCD-9143301b-1
0.295
KEI-TRE-d5e2018a-77
0.294
MAR-TRE-2fd8122f-44
0.294
MAR-TRE-2fd8122f-77
0.294
MAR-TRE-2fd8122f-54
0.294
MAR-TRE-b77b7921-53
0.294
CHR-SOS-54d5cf3e-3
0.294
MAK-UNK-b2c98f02-5
0.294
WAR-XCH-e55cba98-10
0.294
MED-UNK-e6e8ef8a-5
0.293