MMsINC Database Search


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MMsINC code: MMs03864868

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

OCCN(C(=O)c1ccc(cc1)C)CCNC(=O)c1ccc(cc1)C

InChI:

InChI=1/C20H24N2O3/c1-15-3-7-17(8-4-15)19(24)21-11-12-22(13-14-23)20(25)18-9-5-16(2)6-10-18/h3-10,23H,11-14H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.581 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.11079	SlogP: 2.16794	Reactive groups: 0

Topological Properties
Globularity: 0.0780863	Sterimol/B1: 2.76658	Sterimol/B2: 4.83251	Sterimol/B3: 6.15688
Sterimol/B4: 6.77579	Sterimol/L: 16.2714

Surface and Volume Properties
Accessible surface: 635.418	Positive charged surface: 403.847	Negative charged surface: 231.571	Volume: 343.625
Hydrophobic surface: 525.923	Hydrophilic surface: 109.495

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.