MMsINC Database Search


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MMsINC code: MMs01228520

Type: Neutral
Formula: C₁₉H₁₄ClNO₂

SMILES:

Clc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C19H14ClNO2/c20-18-9-5-4-8-17(18)19(22)21-14-10-12-16(13-11-14)23-15-6-2-1-3-7-15/h1-13H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.653 kcal/mol

Physical Properties
Molecular Weight: 323.779 g/mol	logS: -5.87187	SlogP: 5.3846	Reactive groups: 0

Topological Properties
Globularity: 0.0613632	Sterimol/B1: 2.59888	Sterimol/B2: 3.59122	Sterimol/B3: 5.03729
Sterimol/B4: 5.32432	Sterimol/L: 18.3277

Surface and Volume Properties
Accessible surface: 563.247	Positive charged surface: 281.118	Negative charged surface: 282.129	Volume: 302.125
Hydrophobic surface: 535.181	Hydrophilic surface: 28.066

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.