MMsINC Database Search


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MMsINC code: MMs02155079

Type: Neutral
Formula: C₂₅H₁₈N₂O₃

SMILES:

O(c1ncccc1C(=O)Nc1cc(ccc1)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H18N2O3/c28-23(18-9-3-1-4-10-18)19-11-7-12-20(17-19)27-24(29)22-15-8-16-26-25(22)30-21-13-5-2-6-14-21/h1-17H,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.668 kcal/mol

Physical Properties
Molecular Weight: 394.43 g/mol	logS: -6.26351	SlogP: 5.3572	Reactive groups: 0

Topological Properties
Globularity: 0.0729762	Sterimol/B1: 2.60254	Sterimol/B2: 2.83232	Sterimol/B3: 4.52028
Sterimol/B4: 10.548	Sterimol/L: 15.3781

Surface and Volume Properties
Accessible surface: 649.602	Positive charged surface: 372.944	Negative charged surface: 276.658	Volume: 378.125
Hydrophobic surface: 580.881	Hydrophilic surface: 68.721

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.