MMsINC Database Search


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MMsINC code: MMs00067344

Type: Neutral
Formula: C₁₄H₇Cl₂NO₃

SMILES:

Clc1cc2c(cc1Cl)C(=O)N(C2=O)c1ccc(O)cc1

InChI:

InChI=1/C14H7Cl2NO3/c15-11-5-9-10(6-12(11)16)14(20)17(13(9)19)7-1-3-8(18)4-2-7/h1-6,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.792 kcal/mol

Physical Properties
Molecular Weight: 308.12 g/mol	logS: -4.86522	SlogP: 3.4996	Reactive groups: 0

Topological Properties
Globularity: 0.00203342	Sterimol/B1: 2.1282	Sterimol/B2: 2.20816	Sterimol/B3: 2.79486
Sterimol/B4: 5.19963	Sterimol/L: 15.4401

Surface and Volume Properties
Accessible surface: 473.348	Positive charged surface: 189.05	Negative charged surface: 284.299	Volume: 244.625
Hydrophobic surface: 351.065	Hydrophilic surface: 122.283

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.