Molecular Properties | |
SMILES: | O=C(Nc1ccc(N2CCNC2=O)cc1)C1CC2CC1CN2C(=O)CCl |
MW: | 376.13 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 81.75 |
cLogP: | 1.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-5d2caa6f-16
0.653
MAK-UNK-3e0761f8-1
0.613
MAK-UNK-5d2caa6f-20
0.595
LON-WEI-120e5cf5-4
0.570
MAK-UNK-5d2caa6f-1
0.537
MAK-UNK-90d0606b-8
0.512
MAK-UNK-90d0606b-10
0.506
MAK-UNK-90d0606b-2
0.494
MAK-UNK-3f402c2b-19
0.481
MAK-UNK-5d2caa6f-14
0.468
MAK-UNK-5d2caa6f-21
0.464
MAK-UNK-5d2caa6f-19
0.462
MAK-UNK-5d2caa6f-15
0.462
MAK-UNK-3e0761f8-5
0.460
MAK-UNK-90d0606b-9
0.460
MAK-UNK-5d2caa6f-22
0.446
MAK-UNK-5d2caa6f-13
0.430
MAK-UNK-3e0761f8-3
0.412
MAK-UNK-5d2caa6f-18
0.410
MAK-UNK-ec98eaf6-5
0.404
MAK-UNK-3e0761f8-8
0.372
MAK-UNK-10799360-24
0.370
MAK-UNK-3f402c2b-20
0.366
MAK-UNK-3f402c2b-28
0.354
MAK-UNK-10799360-25
0.354
LON-WEI-120e5cf5-20
0.329
MAK-UNK-ec98eaf6-32
0.326
MAK-UNK-ec98eaf6-36
0.320
MAK-UNK-df1a028e-5
0.315
MAK-UNK-3f402c2b-18
0.315
MAK-UNK-ec98eaf6-43
0.308
LON-WEI-120e5cf5-10
0.307
MAK-UNK-3e0761f8-6
0.291
MAK-UNK-7a704a63-2
0.291
MAK-UNK-c8c8f7e2-14
0.291
DAN-MCD-c163c0bb-1
0.288
MAR-TRE-6a44bbf2-86
0.287
LON-WEI-120e5cf5-15
0.287
MAK-UNK-ec98eaf6-48
0.287
MAK-UNK-3e0761f8-7
0.286
DAV-UNK-4a4263a1-1
0.286
LON-WEI-120e5cf5-11
0.283
MAK-UNK-ec98eaf6-35
0.282
ASH-SAT-43770c7d-7
0.277
MAK-UNK-ec98eaf6-38
0.277
LON-WEI-120e5cf5-18
0.275
LON-WEI-120e5cf5-19
0.274
MAK-UNK-5d2caa6f-11
0.273
MAR-TRE-7f7bb9f0-18
0.273
KEI-TRE-d5e2018a-15
0.273
MAK-UNK-ec98eaf6-37
0.269
MAK-UNK-10799360-34
0.269
MAK-UNK-10799360-8
0.267
MAK-UNK-3f402c2b-27
0.267
LON-WEI-120e5cf5-9
0.267
MAK-UNK-ec98eaf6-33
0.266
MAK-UNK-90d0606b-1
0.265
NIM-UNI-43fe0159-7
0.264
MAR-TRE-6a44bbf2-47
0.264
MAK-UNK-90d0606b-3
0.263
MAK-UNK-90d0606b-6
0.262
MAK-UNK-3f402c2b-2
0.260
MAK-UNK-3e0761f8-4
0.260
LON-WEI-120e5cf5-2
0.260
DAN-MCD-0c04f563-1
0.259
MAK-UNK-3f402c2b-7
0.258
LON-WEI-120e5cf5-1
0.258
AAR-POS-f650c5f2-4
0.258
AAR-POS-5507155c-2
0.258
LON-WEI-120e5cf5-17
0.258
AME-UNI-e7596d22-1
0.257
MAK-UNK-10799360-7
0.257
MAK-UNK-bae89c02-2
0.257
MAK-UNK-ec98eaf6-34
0.257
AHN-SAT-de2502ba-7
0.256
MAK-UNK-df1a028e-7
0.253
LON-WEI-120e5cf5-3
0.253
MAK-UNK-10799360-21
0.252
MAK-UNK-3f402c2b-10
0.250
MAK-UNK-3f402c2b-22
0.250
MAK-UNK-5d2caa6f-3
0.250
DRR-IMP-dff87f5e-1
0.250
MAK-UNK-3f402c2b-15
0.250
MAT-POS-162a9720-4
0.250
MIK-MCD-8542a490-1
0.250
KAY-MCD-d0fe5261-1
0.250
MAR-TRE-6a44bbf2-58
0.250
MAC-MCD-4707377b-1
0.250
PEI-IMP-e4a008a2-1
0.250
MAK-UNK-212f693e-11
0.250
MAK-UNK-10799360-9
0.248
MAK-UNK-df1a028e-4
0.247
MAK-UNK-3f402c2b-12
0.247
MAK-UNK-3f402c2b-16
0.247
MAK-UNK-3f402c2b-5
0.247
DAN-MCD-e5161b06-1
0.245
DAN-MCD-68a9aade-1
0.245
DAN-MCD-a37c31cb-1
0.245
FOC-CAS-e3a94da8-1
0.245
MAK-UNK-ec98eaf6-20
0.245