MMsINC Database Search


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MMsINC code: MMs00610437

Type: Neutral
Formula: C₁₆H₁₄ClNO₃

SMILES:

Clc1ccc(cc1NC(=O)c1cc(ccc1)C)C(OC)=O

InChI:

InChI=1/C16H14ClNO3/c1-10-4-3-5-11(8-10)15(19)18-14-9-12(16(20)21-2)6-7-13(14)17/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)=82.675 kcal/mol

Physical Properties
Molecular Weight: 303.745 g/mol	logS: -4.94481	SlogP: 3.68732	Reactive groups: 0

Topological Properties
Globularity: 0.0177334	Sterimol/B1: 2.22466	Sterimol/B2: 2.25395	Sterimol/B3: 3.21885
Sterimol/B4: 8.20151	Sterimol/L: 16.4796

Surface and Volume Properties
Accessible surface: 544.221	Positive charged surface: 301.432	Negative charged surface: 242.789	Volume: 276.375
Hydrophobic surface: 470.41	Hydrophilic surface: 73.811

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.