MMsINC Database Search


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MMsINC code: MMs01509652

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₃

SMILES:

Clc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1

InChI:

InChI=1/C14H11ClN2O3/c15-13-7-2-1-4-11(13)9-16-14(18)10-5-3-6-12(8-10)17(19)20/h1-8H,9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8529 kcal/mol

Physical Properties
Molecular Weight: 290.706 g/mol	logS: -4.82343	SlogP: 3.4446	Reactive groups: 0

Topological Properties
Globularity: 0.0622131	Sterimol/B1: 2.41712	Sterimol/B2: 4.2782	Sterimol/B3: 4.29594
Sterimol/B4: 5.92538	Sterimol/L: 16.0643

Surface and Volume Properties
Accessible surface: 498.917	Positive charged surface: 203.039	Negative charged surface: 295.878	Volume: 253.625
Hydrophobic surface: 374.51	Hydrophilic surface: 124.407

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.