MMsINC Database Search


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MMsINC code: MMs02750952

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cc(NC(=O)Cc2ccccc2)c(cc1)C)C

InChI:

InChI=1/C23H20N2O2/c1-15-8-11-19-21(12-15)27-23(25-19)18-10-9-16(2)20(14-18)24-22(26)13-17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1243 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.3664	SlogP: 5.29281	Reactive groups: 0

Topological Properties
Globularity: 0.036166	Sterimol/B1: 3.7174	Sterimol/B2: 3.73602	Sterimol/B3: 5.28363
Sterimol/B4: 8.32774	Sterimol/L: 16.4657

Surface and Volume Properties
Accessible surface: 660.225	Positive charged surface: 394.745	Negative charged surface: 265.48	Volume: 352.5
Hydrophobic surface: 595.057	Hydrophilic surface: 65.168

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.