MMsINC Database Search


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MMsINC code: MMs02704114

Type: Neutral
Formula: C₁₆H₁₄ClNO₄

SMILES:

Clc1ccc(NC(=O)COc2ccccc2)cc1C(OC)=O

InChI:

InChI=1/C16H14ClNO4/c1-21-16(20)13-9-11(7-8-14(13)17)18-15(19)10-22-12-5-3-2-4-6-12/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)=93.5596 kcal/mol

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

Topological Properties
Globularity: 0.0187044	Sterimol/B1: 2.28304	Sterimol/B2: 2.2869	Sterimol/B3: 3.24485
Sterimol/B4: 8.63217	Sterimol/L: 17.477

Surface and Volume Properties
Accessible surface: 565.566	Positive charged surface: 330.868	Negative charged surface: 234.698	Volume: 284.5
Hydrophobic surface: 481.898	Hydrophilic surface: 83.668

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.