MMsINC Database Search


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MMsINC code: MMs00251450

Type: Neutral
Formula: C₂₂H₂₄N₂O₄

SMILES:

O(C)c1cc2C=C(CN(Cc3ccc(cc3)C)C(=O)C)C(=O)Nc2cc1OC

InChI:

InChI=1/C22H24N2O4/c1-14-5-7-16(8-6-14)12-24(15(2)25)13-18-9-17-10-20(27-3)21(28-4)11-19(17)23-22(18)26/h5-11H,12-13H2,1-4H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8628 kcal/mol

Physical Properties
Molecular Weight: 380.444 g/mol	logS: -4.6413	SlogP: 3.66282	Reactive groups: 0

Topological Properties
Globularity: 0.0402155	Sterimol/B1: 2.54984	Sterimol/B2: 4.18442	Sterimol/B3: 4.55727
Sterimol/B4: 5.92061	Sterimol/L: 19.0217

Surface and Volume Properties
Accessible surface: 650.256	Positive charged surface: 454.681	Negative charged surface: 195.575	Volume: 372.625
Hydrophobic surface: 537.172	Hydrophilic surface: 113.084

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.