MMsINC Database Search


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MMsINC code: MMs01264641

Type: Neutral
Formula: C₂₀H₁₇NO₂

SMILES:

O(c1cc(ccc1)C(=O)Nc1ccccc1C)c1ccccc1

InChI:

InChI=1/C20H17NO2/c1-15-8-5-6-13-19(15)21-20(22)16-9-7-12-18(14-16)23-17-10-3-2-4-11-17/h2-14H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.141 kcal/mol

Physical Properties
Molecular Weight: 303.361 g/mol	logS: -5.29805	SlogP: 5.03962	Reactive groups: 0

Topological Properties
Globularity: 0.0759052	Sterimol/B1: 2.69365	Sterimol/B2: 4.28337	Sterimol/B3: 4.66122
Sterimol/B4: 5.793	Sterimol/L: 16.8434

Surface and Volume Properties
Accessible surface: 568.841	Positive charged surface: 310.988	Negative charged surface: 257.853	Volume: 303.5
Hydrophobic surface: 540.185	Hydrophilic surface: 28.656

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.