MMsINC Database Search


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MMsINC code: MMs02232271

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C20H18N2O2/c23-20(21-17-9-5-2-6-10-17)22-18-11-13-19(14-12-18)24-15-16-7-3-1-4-8-16/h1-14H,15H2,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6438 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -5.07033	SlogP: 5.176	Reactive groups: 0

Topological Properties
Globularity: 0.0260132	Sterimol/B1: 3.06504	Sterimol/B2: 3.46078	Sterimol/B3: 3.54218
Sterimol/B4: 5.20032	Sterimol/L: 20.5566

Surface and Volume Properties
Accessible surface: 610.681	Positive charged surface: 350.713	Negative charged surface: 259.968	Volume: 314.875
Hydrophobic surface: 541.478	Hydrophilic surface: 69.203

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.