MMsINC Database Search


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MMsINC code: MMs02704115

Type: Neutral
Formula: C₁₆H₁₄ClNO₃

SMILES:

Clc1ccc(NC(=O)c2ccc(cc2)C)cc1C(OC)=O

InChI:

InChI=1/C16H14ClNO3/c1-10-3-5-11(6-4-10)15(19)18-12-7-8-14(17)13(9-12)16(20)21-2/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)=82.0261 kcal/mol

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

Topological Properties
Globularity: 0.0212393	Sterimol/B1: 2.49773	Sterimol/B2: 3.11157	Sterimol/B3: 4.83859
Sterimol/B4: 5.9322	Sterimol/L: 16.1458

Surface and Volume Properties
Accessible surface: 547.082	Positive charged surface: 311.646	Negative charged surface: 235.436	Volume: 277.75
Hydrophobic surface: 478.234	Hydrophilic surface: 68.848

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.