MMsINC Database Search


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MMsINC code: MMs01210318

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cccc(NC(=O)c2ccccc2C)c1C)C

InChI:

InChI=1/C23H20N2O2/c1-14-11-12-20-21(13-14)27-23(25-20)18-9-6-10-19(16(18)3)24-22(26)17-8-5-4-7-15(17)2/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.642 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.77885	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.0324004	Sterimol/B1: 2.41262	Sterimol/B2: 4.30427	Sterimol/B3: 4.73669
Sterimol/B4: 6.01219	Sterimol/L: 19.6685

Surface and Volume Properties
Accessible surface: 638.776	Positive charged surface: 369.261	Negative charged surface: 269.515	Volume: 350
Hydrophobic surface: 590.495	Hydrophilic surface: 48.281

Pharmacophoric Properties
Hydrogen bond donors: 1	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.