MMsINC Database Search


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MMsINC code: MMs03317403

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

OC(c1ccccc1)c1nc2c(n1CCC(=O)c1ccccc1)cccc2

InChI:

InChI=1/C23H20N2O2/c26-21(17-9-3-1-4-10-17)15-16-25-20-14-8-7-13-19(20)24-23(25)22(27)18-11-5-2-6-12-18/h1-14,22,27H,15-16H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5624 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.0505	SlogP: 4.7529	Reactive groups: 0

Topological Properties
Globularity: 0.11892	Sterimol/B1: 2.1696	Sterimol/B2: 2.97492	Sterimol/B3: 5.01886
Sterimol/B4: 10.3095	Sterimol/L: 16.6472

Surface and Volume Properties
Accessible surface: 638.35	Positive charged surface: 335.159	Negative charged surface: 303.191	Volume: 354.625
Hydrophobic surface: 552.315	Hydrophilic surface: 86.035

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.