MMsINC Database Search


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MMsINC code: MMs00842565

Type: Neutral
Formula: C₁₇H₂₄N₂O₃

SMILES:

O(CC)c1ccccc1CNC(=O)C1N(C(C)C)C(=O)CC1

InChI:

InChI=1/C17H24N2O3/c1-4-22-15-8-6-5-7-13(15)11-18-17(21)14-9-10-16(20)19(14)12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0376 kcal/mol

Physical Properties
Molecular Weight: 304.39 g/mol	logS: -2.86213	SlogP: 2.3673	Reactive groups: 0

Topological Properties
Globularity: 0.10384	Sterimol/B1: 2.32418	Sterimol/B2: 2.94885	Sterimol/B3: 5.14256
Sterimol/B4: 8.51498	Sterimol/L: 15.0067

Surface and Volume Properties
Accessible surface: 569.578	Positive charged surface: 393.123	Negative charged surface: 176.454	Volume: 309.25
Hydrophobic surface: 449.236	Hydrophilic surface: 120.342

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.