MMsINC Database Search


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MMsINC code: MMs02194863

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

O(C(=O)C)c1ccc(cc1)-c1cc(ccc1)C(=O)Nc1ncccc1

InChI:

InChI=1/C20H16N2O3/c1-14(23)25-18-10-8-15(9-11-18)16-5-4-6-17(13-16)20(24)22-19-7-2-3-12-21-19/h2-13H,1H3,(H,21,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.198 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -5.18789	SlogP: 3.9262	Reactive groups: 0

Topological Properties
Globularity: 0.0080898	Sterimol/B1: 2.80003	Sterimol/B2: 3.14005	Sterimol/B3: 3.39543
Sterimol/B4: 7.28035	Sterimol/L: 20.1303

Surface and Volume Properties
Accessible surface: 601.026	Positive charged surface: 331.055	Negative charged surface: 258.53	Volume: 318.25
Hydrophobic surface: 503.379	Hydrophilic surface: 97.647

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.