MMsINC Database Search


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MMsINC code: MMs00479395

Type: Neutral
Formula: C₁₅H₁₀ClNO₂

SMILES:

Clc1ccc(cc1)C=1C(=O)Nc2c(cccc2)C=1O

InChI:

InChI=1/C15H10ClNO2/c16-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)17-15(13)19/h1-8H,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8891 kcal/mol

Physical Properties
Molecular Weight: 271.703 g/mol	logS: -4.40105	SlogP: 3.7184	Reactive groups: 0

Topological Properties
Globularity: 0.0570389	Sterimol/B1: 2.75219	Sterimol/B2: 2.92295	Sterimol/B3: 3.51735
Sterimol/B4: 5.5182	Sterimol/L: 15.5338

Surface and Volume Properties
Accessible surface: 464.102	Positive charged surface: 220.502	Negative charged surface: 243.6	Volume: 241.125
Hydrophobic surface: 373.597	Hydrophilic surface: 90.505

Pharmacophoric Properties
Hydrogen bond donors: 2	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.