MMsINC Database Search


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MMsINC code: MMs02008020

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O(C)c1cc2NC(=O)C(=Cc2cc1)CCNC(=O)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H20N2O3/c1-28-20-9-8-17-13-19(23(27)25-21(17)14-20)10-11-24-22(26)18-7-6-15-4-2-3-5-16(15)12-18/h2-9,12-14H,10-11H2,1H3,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5608 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -5.97543	SlogP: 4.004	Reactive groups: 0

Topological Properties
Globularity: 0.0348381	Sterimol/B1: 2.88936	Sterimol/B2: 3.38954	Sterimol/B3: 4.28905
Sterimol/B4: 4.93368	Sterimol/L: 23.022

Surface and Volume Properties
Accessible surface: 663.477	Positive charged surface: 397.15	Negative charged surface: 255.513	Volume: 357.375
Hydrophobic surface: 550.037	Hydrophilic surface: 113.44

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.