MMsINC Database Search


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MMsINC code: MMs00960218

Type: Neutral
Formula: C₁₇H₁₂Cl₂N₂O₃

SMILES:

Clc1ccc(Cl)cc1NC(=O)c1noc(c1)-c1ccccc1OC

InChI:

InChI=1/C17H12Cl2N2O3/c1-23-15-5-3-2-4-11(15)16-9-14(21-24-16)17(22)20-13-8-10(18)6-7-12(13)19/h2-9H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.406 kcal/mol

Physical Properties
Molecular Weight: 363.2 g/mol	logS: -6.06828	SlogP: 4.9093	Reactive groups: 0

Topological Properties
Globularity: 0.047069	Sterimol/B1: 2.45571	Sterimol/B2: 4.00572	Sterimol/B3: 5.37094
Sterimol/B4: 7.24832	Sterimol/L: 17.6962

Surface and Volume Properties
Accessible surface: 592.005	Positive charged surface: 279.471	Negative charged surface: 312.535	Volume: 307.625
Hydrophobic surface: 519.706	Hydrophilic surface: 72.299

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.