MMsINC Database Search


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MMsINC code: MMs02230506

Type: Neutral
Formula: C₁₅H₁₃ClO₂

SMILES:

Clc1ccc(cc1)C(O)(C(=O)c1ccccc1)C

InChI:

InChI=1/C15H13ClO2/c1-15(18,12-7-9-13(16)10-8-12)14(17)11-5-3-2-4-6-11/h2-10,18H,1H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6531 kcal/mol

Physical Properties
Molecular Weight: 260.72 g/mol	logS: -4.31665	SlogP: 3.7419	Reactive groups: 0

Topological Properties
Globularity: 0.244901	Sterimol/B1: 2.33275	Sterimol/B2: 3.29471	Sterimol/B3: 4.62008
Sterimol/B4: 8.00375	Sterimol/L: 12.2716

Surface and Volume Properties
Accessible surface: 459.025	Positive charged surface: 215.432	Negative charged surface: 243.593	Volume: 244.25
Hydrophobic surface: 393.678	Hydrophilic surface: 65.347

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.