MMsINC Database Search


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MMsINC code: MMs00079851

Type: Neutral
Formula: C₁₅H₁₂ClNO₃

SMILES:

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

InChI:

InChI=1/C15H12ClNO3/c1-20-15(19)11-5-3-7-13(9-11)17-14(18)10-4-2-6-12(16)8-10/h2-9H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.222 kcal/mol

Physical Properties
Molecular Weight: 289.718 g/mol	logS: -4.47089	SlogP: 3.3789	Reactive groups: 0

Topological Properties
Globularity: 0.0203525	Sterimol/B1: 2.40738	Sterimol/B2: 3.02026	Sterimol/B3: 3.08031
Sterimol/B4: 6.92675	Sterimol/L: 16.4875

Surface and Volume Properties
Accessible surface: 518.957	Positive charged surface: 275.76	Negative charged surface: 243.197	Volume: 260.125
Hydrophobic surface: 441.046	Hydrophilic surface: 77.911

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.