MMsINC Database Search


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MMsINC code: MMs01674135

Type: Neutral
Formula: C₂₅H₂₁NO₄

SMILES:

O=C1N(CCOC(=O)CC(c2ccccc2)c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C25H21NO4/c27-23(17-22(18-9-3-1-4-10-18)19-11-5-2-6-12-19)30-16-15-26-24(28)20-13-7-8-14-21(20)25(26)29/h1-14,22H,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.0993 kcal/mol

Physical Properties
Molecular Weight: 399.446 g/mol	logS: -5.69665	SlogP: 4.048	Reactive groups: 1

Topological Properties
Globularity: 0.0904947	Sterimol/B1: 2.32999	Sterimol/B2: 3.74017	Sterimol/B3: 4.08018
Sterimol/B4: 9.36287	Sterimol/L: 16.1232

Surface and Volume Properties
Accessible surface: 692.784	Positive charged surface: 403.899	Negative charged surface: 288.884	Volume: 382.5
Hydrophobic surface: 602.911	Hydrophilic surface: 89.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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.