Molecular Properties | |
SMILES: | O=C(Nc1ccc(NC(=O)[C@H]2CCCNC2)cn1)C1CC1 |
MW: | 288.16 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 83.12 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4b834d9a-56
0.644
MAR-TRE-4b834d9a-48
0.600
MAR-TRE-d0525fbf-53
0.594
MAR-TRE-f6f5f473-81
0.585
MAR-TRE-04c86cea-85
0.561
MAR-TRE-4b834d9a-100
0.514
MAR-TRE-d0525fbf-63
0.500
MAR-TRE-f6f5f473-37
0.473
MAR-TRE-04c86cea-84
0.457
MAR-TRE-b77b7921-75
0.442
MAR-TRE-f6f5f473-63
0.438
MAR-TRE-04c86cea-19
0.421
MAR-TRE-f6f5f473-80
0.421
MAR-TRE-f6f5f473-39
0.410
MAR-TRE-9c797165-75
0.377
MAR-TRE-9c797165-44
0.366
MAR-TRE-7f7bb9f0-54
0.354
MAR-TRE-67513f76-75
0.352
MAR-TRE-7f7bb9f0-31
0.329
MAR-TRE-67513f76-96
0.329
MAR-TRE-f6f5f473-87
0.322
LON-WEI-120e5cf5-1
0.321
AAR-POS-f650c5f2-4
0.321
AAR-POS-5507155c-2
0.321
LON-WEI-120e5cf5-17
0.321
MAR-TRE-7f7bb9f0-86
0.321
MAR-TRE-7f7bb9f0-26
0.310
MAR-TRE-2fd8122f-18
0.309
MAK-UNK-c97f7c8f-1
0.308
MAK-UNK-c97f7c8f-2
0.300
MAR-TRE-04c86cea-79
0.299
MAR-TRE-9c797165-77
0.299
MAR-TRE-67513f76-17
0.296
JOH-IMS-0780e8d1-4
0.296
MAR-TRE-67513f76-57
0.294
MAR-TRE-04c86cea-35
0.292
MAR-TRE-04c86cea-31
0.289
MAR-TRE-2fd8122f-27
0.288
MAR-TRE-9c797165-84
0.287
MAR-TRE-04c86cea-46
0.287
MAR-TRE-9c797165-13
0.287
MAR-TRE-3e4e6814-23
0.284
MAR-TRE-2fd8122f-8
0.283
MAR-TRE-9c797165-4
0.280
MAR-TRE-74c6519b-69
0.280
MAK-UNK-748f8b7a-7
0.280
MAR-TRE-2fd8122f-13
0.279
JOH-IMS-0780e8d1-6
0.277
MAR-TRE-7f7bb9f0-67
0.276
JOH-IMS-0f19a540-13
0.275
MAR-TRE-3e4e6814-58
0.274
MAR-TRE-f6f5f473-77
0.273
MAR-TRE-a9136c7b-99
0.273
MAR-TRE-3e4e6814-96
0.271
MAR-TRE-9d18ae8c-70
0.271
MAR-TRE-9c797165-79
0.270
EDG-MED-0da5ad92-9
0.268
MAR-TRE-67513f76-90
0.268
MAK-UNK-30aad1f1-17
0.268
MAR-TRE-04c86cea-17
0.267
MAR-TRE-f6f5f473-23
0.264
WAR-XCH-e55cba98-10
0.263
CHR-SOS-54d5cf3e-3
0.263
JOH-IMS-0780e8d1-2
0.261
MAR-TRE-b77b7921-77
0.261
MAR-TRE-74c6519b-24
0.261
MAR-TRE-4b834d9a-65
0.261
MAR-TRE-04c86cea-49
0.261
MAR-TRE-67513f76-85
0.259
MAR-TRE-74c6519b-50
0.258
MAR-TRE-7f7bb9f0-21
0.258
LON-WEI-120e5cf5-11
0.256
MAR-TRE-4f781e27-64
0.256
MAK-UNK-90d0606b-10
0.256
COM-UCB-1ef4e90e-5
0.256
MAR-TRE-04c86cea-62
0.255
MAR-TRE-f6f5f473-76
0.255
MAR-TRE-d0525fbf-54
0.255
MAK-UNK-748f8b7a-14
0.254
WIL-UNI-5578df48-17
0.253
AAR-UNI-c25c2f1e-3
0.250
JAG-UCB-ef2c0e8e-10
0.250
MAR-TRE-9c797165-86
0.250
MAR-TRE-67513f76-95
0.250
MAR-TRE-d0525fbf-90
0.250
MAR-TRE-4b834d9a-58
0.248
MAR-TRE-7f7bb9f0-59
0.247
MAR-TRE-f6f5f473-74
0.247
JOH-IMS-0780e8d1-1
0.247
MAR-TRE-d0525fbf-87
0.245
MAR-TRE-04c86cea-40
0.245
MAR-TRE-f6f5f473-6
0.243
SAD-SAT-24589cd1-10
0.242
MAR-TRE-67513f76-31
0.242
JOH-IMS-0780e8d1-5
0.241
MAR-TRE-3e4e6814-52
0.241
ROD-LAS-d5538ff9-3
0.241
MAR-TRE-9c797165-47
0.240
MAR-TRE-67513f76-84
0.240
MAR-TRE-f6f5f473-9
0.239