Molecular Properties | |
SMILES: | Cc1ccnc2[nH]c(CC3CC4CC3CN4C(=O)CCl)nc12 |
MW: | 318.12 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 61.88 |
cLogP: | 2.28 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
WAR-XCH-b0339bbe-3
0.542
MAK-UNK-ec98eaf6-38
0.458
MAK-UNK-ec98eaf6-37
0.415
MAK-UNK-ec98eaf6-33
0.390
MAK-UNK-90d0606b-9
0.376
MAK-UNK-3e0761f8-5
0.376
MAK-UNK-ec98eaf6-35
0.371
MAK-UNK-ec98eaf6-43
0.364
MAK-UNK-df1a028e-5
0.356
MAK-UNK-10799360-7
0.353
MAK-UNK-ec98eaf6-32
0.352
MAK-UNK-5d2caa6f-1
0.348
MAK-UNK-3e0761f8-3
0.340
MAK-UNK-ec98eaf6-48
0.337
MAK-UNK-10799360-11
0.337
MAK-UNK-90d0606b-6
0.333
MAK-UNK-10799360-34
0.330
MAK-UNK-90d0606b-10
0.330
ALV-UNI-7ff1a6f9-48
0.326
MAK-UNK-3f402c2b-18
0.326
WAR-XCH-bdd24732-13
0.324
WAR-XCH-b0339bbe-1
0.323
WAR-XCH-b0339bbe-2
0.316
MAK-UNK-90d0606b-2
0.316
MAK-UNK-3e0761f8-1
0.312
MAK-UNK-3e0761f8-8
0.308
MAK-UNK-5d2caa6f-20
0.308
MAK-UNK-5d2caa6f-16
0.304
MAK-UNK-ec98eaf6-36
0.304
MAK-UNK-10799360-9
0.303
MAK-UNK-3f402c2b-28
0.302
MAK-UNK-3f402c2b-19
0.301
MAK-UNK-ec98eaf6-34
0.300
MAK-UNK-3f402c2b-12
0.298
MAK-UNK-5d2caa6f-11
0.294
MAK-UNK-90d0606b-8
0.293
MAK-UNK-5d2caa6f-21
0.292
MAK-UNK-5d2caa6f-17
0.291
MAK-UNK-5d2caa6f-13
0.288
MAK-UNK-5d2caa6f-22
0.288
WAR-XCH-bdd24732-11
0.287
MAK-UNK-5d2caa6f-14
0.287
WAR-XCH-bdd24732-10
0.286
MAK-UNK-3f402c2b-4
0.284
MAK-UNK-5d2caa6f-19
0.280
MAK-UNK-5d2caa6f-15
0.276
MAK-UNK-3e0761f8-7
0.272
THO-SYG-f9b2970d-1
0.272
MAK-UNK-3f402c2b-5
0.272
MAK-UNK-3f402c2b-7
0.270
MAK-UNK-3f402c2b-20
0.270
WAR-XCH-bdd24732-12
0.269
MAK-UNK-3f402c2b-17
0.268
MAK-UNK-ec98eaf6-20
0.267
MAK-UNK-3f402c2b-3
0.266
WAR-XCH-79d12f6e-14
0.265
MAK-UNK-3f402c2b-27
0.264
MAK-UNK-5d2caa6f-18
0.263
MAK-UNK-3e0761f8-4
0.257
DAV-CRI-1c77f7a9-5
0.257
MAK-UNK-3f402c2b-9
0.255
MAK-UNK-ec98eaf6-9
0.255
FOC-CAS-e3a94da8-1
0.255
MAK-UNK-3f402c2b-29
0.253
MAK-UNK-3f402c2b-25
0.253
THO-SYG-f9b2970d-2
0.252
FOC-CAS-e3a94da8-2
0.252
MAK-UNK-df1a028e-7
0.250
MAK-UNK-df1a028e-9
0.250
MAK-UNK-ec98eaf6-47
0.248
SAL-INS-1c7a5a55-6
0.248
MAK-UNK-10799360-5
0.248
MAK-UNK-5d2caa6f-6
0.248
MAK-UNK-10799360-3
0.248
MAK-UNK-ec98eaf6-1
0.248
MAK-UNK-5d2caa6f-3
0.247
MAK-UNK-3f402c2b-22
0.247
MAK-UNK-ec98eaf6-5
0.246
MAK-UNK-10799360-6
0.245
MAK-UNK-10799360-1
0.245
MAK-UNK-df1a028e-4
0.245
MAK-UNK-3f402c2b-16
0.245
MAK-UNK-bae89c02-2
0.243
MAK-UNK-ec98eaf6-21
0.243
NIC-BIO-29f4a211-1
0.243
SAD-SAT-3a925b8b-8
0.242
MAK-UNK-df1a028e-6
0.242
MIH-UNI-e573136b-13
0.241
MAK-UNK-10799360-4
0.241
MAK-UNK-ec98eaf6-57
0.241
MAK-UNK-10799360-17
0.241
MAK-UNK-ec98eaf6-45
0.240
MAK-UNK-3f402c2b-6
0.240
MAK-UNK-df1a028e-8
0.239
MAK-UNK-ec98eaf6-55
0.238
THO-SYG-f9b2970d-5
0.237
MIK-MCD-8542a490-1
0.236
MAK-UNK-ec98eaf6-22
0.236
MAK-UNK-5d2caa6f-7
0.236
MAK-UNK-10799360-2
0.236