MMsINC Database Search


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MMsINC code: MMs02556641

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O(C(=O)c1cnc2c(cc(cc2)C)c1Nc1c2c(ccc1)cccc2)CC

InChI:

InChI=1/C23H20N2O2/c1-3-27-23(26)19-14-24-20-12-11-15(2)13-18(20)22(19)25-21-10-6-8-16-7-4-5-9-17(16)21/h4-14H,3H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.895 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.65448	SlogP: 5.61672	Reactive groups: 0

Topological Properties
Globularity: 0.166963	Sterimol/B1: 3.21918	Sterimol/B2: 4.10966	Sterimol/B3: 5.24352
Sterimol/B4: 10.5671	Sterimol/L: 15.5849

Surface and Volume Properties
Accessible surface: 632.411	Positive charged surface: 393.376	Negative charged surface: 228.01	Volume: 351.75
Hydrophobic surface: 559.646	Hydrophilic surface: 72.765

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.