MMsINC Database Search


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MMsINC code: MMs02128342

Type: Neutral
Formula: C₁₄H₈Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1-c1noc(c1)-c1ncccc1

InChI:

InChI=1/C14H8Cl2N2O/c15-9-4-5-10(11(16)7-9)13-8-14(19-18-13)12-3-1-2-6-17-12/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8518 kcal/mol

Physical Properties
Molecular Weight: 291.137 g/mol	logS: -5.00083	SlogP: 4.7104	Reactive groups: 0

Topological Properties
Globularity: 0.000323213	Sterimol/B1: 2.14089	Sterimol/B2: 2.20377	Sterimol/B3: 4.19397
Sterimol/B4: 4.81313	Sterimol/L: 16.5838

Surface and Volume Properties
Accessible surface: 488.935	Positive charged surface: 210.702	Negative charged surface: 278.233	Volume: 247.375
Hydrophobic surface: 455.194	Hydrophilic surface: 33.741

Pharmacophoric Properties
Hydrogen bond donors: 0	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.