MMsINC Database Search


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MMsINC code: MMs01224904

Type: Neutral
Formula: C₁₆H₁₄ClNO₄

SMILES:

Clc1ccccc1NC(=O)COC(=O)c1ccccc1OC

InChI:

InChI=1/C16H14ClNO4/c1-21-14-9-5-2-6-11(14)16(20)22-10-15(19)18-13-8-4-3-7-12(13)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)=97.751 kcal/mol

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

Topological Properties
Globularity: 0.0124978	Sterimol/B1: 2.56166	Sterimol/B2: 2.86524	Sterimol/B3: 3.19989
Sterimol/B4: 7.02019	Sterimol/L: 16.9693

Surface and Volume Properties
Accessible surface: 560.566	Positive charged surface: 324.347	Negative charged surface: 236.219	Volume: 285.75
Hydrophobic surface: 484.342	Hydrophilic surface: 76.224

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.