MMsINC Database Search


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MMsINC code: MMs00129716

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(C)c1cc2C=C(CN(C(=O)C)C3CCCC3)C(=O)Nc2cc1OC

InChI:

InChI=1/C19H24N2O4/c1-12(22)21(15-6-4-5-7-15)11-14-8-13-9-17(24-2)18(25-3)10-16(13)20-19(14)23/h8-10,15H,4-7,11H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.986 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -3.3554	SlogP: 2.8304	Reactive groups: 0

Topological Properties
Globularity: 0.0895478	Sterimol/B1: 2.45518	Sterimol/B2: 2.60715	Sterimol/B3: 5.04725
Sterimol/B4: 7.75363	Sterimol/L: 15.153

Surface and Volume Properties
Accessible surface: 569.896	Positive charged surface: 420.792	Negative charged surface: 149.104	Volume: 329.875
Hydrophobic surface: 464.104	Hydrophilic surface: 105.792

Pharmacophoric Properties
Hydrogen bond donors: 1	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.