MMsINC Database Search


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MMsINC code: MMs01549012

Type: Neutral
Formula: C₂₃H₂₀ClNO₄

SMILES:

Clc1cc(C(OCC(=O)Nc2ccccc2Cc2ccccc2)=O)c(OC)cc1

InChI:

InChI=1/C23H20ClNO4/c1-28-21-12-11-18(24)14-19(21)23(27)29-15-22(26)25-20-10-6-5-9-17(20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.388 kcal/mol

Physical Properties
Molecular Weight: 409.869 g/mol	logS: -6.35064	SlogP: 4.73487	Reactive groups: 0

Topological Properties
Globularity: 0.0810298	Sterimol/B1: 2.30446	Sterimol/B2: 3.75385	Sterimol/B3: 6.40914
Sterimol/B4: 7.68202	Sterimol/L: 16.6745

Surface and Volume Properties
Accessible surface: 684.762	Positive charged surface: 384.747	Negative charged surface: 300.016	Volume: 383.25
Hydrophobic surface: 614.984	Hydrophilic surface: 69.778

Pharmacophoric Properties
Hydrogen bond donors: 1	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.