MMsINC Database Search


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MMsINC code: MMs03011828

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C)c1cc(OC)ccc1C(=O)N(C1CCCCC1)c1ncccc1

InChI:

InChI=1/C20H24N2O3/c1-24-16-11-12-17(18(14-16)25-2)20(23)22(15-8-4-3-5-9-15)19-10-6-7-13-21-19/h6-7,10-15H,3-5,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=351.725 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.8739	SlogP: 4.0783	Reactive groups: 0

Topological Properties
Globularity: 0.112044	Sterimol/B1: 2.46052	Sterimol/B2: 4.93694	Sterimol/B3: 5.61554
Sterimol/B4: 7.14175	Sterimol/L: 15.679

Surface and Volume Properties
Accessible surface: 571.977	Positive charged surface: 434.466	Negative charged surface: 137.51	Volume: 328.5
Hydrophobic surface: 531.548	Hydrophilic surface: 40.429

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.