MMsINC Database Search


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MMsINC code: MMs02743671

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CN(C(=O)c1ccc(OC)cc1)Cc1cccnc1

InChI:

InChI=1/C23H24N2O4/c1-27-20-9-7-19(8-10-20)23(26)25(16-18-5-4-12-24-14-18)15-17-6-11-21(28-2)22(13-17)29-3/h4-14H,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.856 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -3.85382	SlogP: 4.4828	Reactive groups: 0

Topological Properties
Globularity: 0.156634	Sterimol/B1: 3.23407	Sterimol/B2: 4.08893	Sterimol/B3: 5.77029
Sterimol/B4: 9.55506	Sterimol/L: 16.8891

Surface and Volume Properties
Accessible surface: 662.344	Positive charged surface: 486.147	Negative charged surface: 176.197	Volume: 382.375
Hydrophobic surface: 582.782	Hydrophilic surface: 79.562

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.