Type: Neutral
Formula: C17H25N3O2
SMILES: |
O=C1Nc2cc(ccc2NC1C(CC)C)C(=O)NCCCC |
InChI: |
InChI=1/C17H25N3O2/c1-4-6-9-18-16(21)12-7-8-13-14(10-12)20-17(22)15(19-13)11(3)5-2/h7-8,10-11,15,19H,4-6,9H2,1-3H3,(H,18,21)(H,20,22)/t11-,15-/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 303.406 g/mol | logS: -3.96857 | SlogP: 2.9952 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0631351 | Sterimol/B1: 3.17053 | Sterimol/B2: 3.91249 | Sterimol/B3: 3.9674 |
Sterimol/B4: 5.0364 | Sterimol/L: 18.5774 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 571.204 | Positive charged surface: 404.832 | Negative charged surface: 166.372 | Volume: 306.875 |
Hydrophobic surface: 386.592 | Hydrophilic surface: 184.612 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 2 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |
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Ions/Tautomers related molecules: no related molecules available. | | | |