MMsINC Database Search


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MMsINC code: MMs03966923

Type: Neutral
Formula: C₁₈H₁₄ClNO₄

SMILES:

Clc1cc(C(=O)n2cc(c3c2cccc3)C(OC)=O)c(OC)cc1

InChI:

InChI=1/C18H14ClNO4/c1-23-16-8-7-11(19)9-13(16)17(21)20-10-14(18(22)24-2)12-5-3-4-6-15(12)20/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2614 kcal/mol

Physical Properties
Molecular Weight: 343.766 g/mol	logS: -4.8904	SlogP: 3.7784	Reactive groups: 0

Topological Properties
Globularity: 0.201397	Sterimol/B1: 2.40968	Sterimol/B2: 5.88774	Sterimol/B3: 6.21362
Sterimol/B4: 8.25524	Sterimol/L: 13.9434

Surface and Volume Properties
Accessible surface: 578.126	Positive charged surface: 323.269	Negative charged surface: 249.456	Volume: 305.5
Hydrophobic surface: 501.43	Hydrophilic surface: 76.696

Pharmacophoric Properties
Hydrogen bond donors: 0	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.