MMsINC Database Search


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MMsINC code: MMs00732868

Type: Neutral
Formula: C₁₆H₁₄ClNO₄

SMILES:

Clc1cc(ccc1OC)C(=O)Nc1cc(ccc1)C(OC)=O

InChI:

InChI=1/C16H14ClNO4/c1-21-14-7-6-10(9-13(14)17)15(19)18-12-5-3-4-11(8-12)16(20)22-2/h3-9H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2146 kcal/mol

Physical Properties
Molecular Weight: 319.744 g/mol	logS: -4.52127	SlogP: 3.3875	Reactive groups: 0

Topological Properties
Globularity: 0.0163042	Sterimol/B1: 2.64799	Sterimol/B2: 3.24298	Sterimol/B3: 3.43873
Sterimol/B4: 6.20286	Sterimol/L: 18.3374

Surface and Volume Properties
Accessible surface: 561.139	Positive charged surface: 336.255	Negative charged surface: 224.885	Volume: 287.25
Hydrophobic surface: 476.467	Hydrophilic surface: 84.672

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.