MMsINC Database Search


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MMsINC code: MMs00587452

Type: Neutral
Formula: C₁₆H₁₄ClNO₄

SMILES:

Clc1ccccc1OCC(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C16H14ClNO4/c1-21-16(20)11-6-8-12(9-7-11)18-15(19)10-22-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4219 kcal/mol

Physical Properties
Molecular Weight: 319.744 g/mol	logS: -4.54771	SlogP: 3.1441	Reactive groups: 0

Topological Properties
Globularity: 0.0107062	Sterimol/B1: 2.60134	Sterimol/B2: 2.98918	Sterimol/B3: 4.18104
Sterimol/B4: 4.86692	Sterimol/L: 19.7602

Surface and Volume Properties
Accessible surface: 572.553	Positive charged surface: 326.831	Negative charged surface: 245.721	Volume: 287
Hydrophobic surface: 482.579	Hydrophilic surface: 89.974

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.