MMsINC Database Search


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MMsINC code: MMs01418669

Type: Neutral
Formula: C₁₆H₁₄ClNO₃

SMILES:

Clc1ccccc1CNC(=O)COC(=O)c1ccccc1

InChI:

InChI=1/C16H14ClNO3/c17-14-9-5-4-8-13(14)10-18-15(19)11-21-16(20)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1971 kcal/mol

Physical Properties
Molecular Weight: 303.745 g/mol	logS: -4.44137	SlogP: 3.0796	Reactive groups: 0

Topological Properties
Globularity: 0.0332482	Sterimol/B1: 3.36381	Sterimol/B2: 3.61496	Sterimol/B3: 4.39122
Sterimol/B4: 4.44297	Sterimol/L: 18.5584

Surface and Volume Properties
Accessible surface: 555.523	Positive charged surface: 287.157	Negative charged surface: 268.366	Volume: 280.125
Hydrophobic surface: 463.106	Hydrophilic surface: 92.417

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.