MMsINC Database Search


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MMsINC code: MMs01445675

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1ccccc1COC(=O)c1ccc(NC(=O)N)cc1

InChI:

InChI=1/C15H13ClN2O3/c16-13-4-2-1-3-11(13)9-21-14(19)10-5-7-12(8-6-10)18-15(17)20/h1-8H,9H2,(H3,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2532 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -4.4181	SlogP: 3.454	Reactive groups: 0

Topological Properties
Globularity: 0.00650932	Sterimol/B1: 2.46573	Sterimol/B2: 2.53643	Sterimol/B3: 2.70602
Sterimol/B4: 6.42846	Sterimol/L: 17.7998

Surface and Volume Properties
Accessible surface: 528.022	Positive charged surface: 272.02	Negative charged surface: 256.002	Volume: 270.125
Hydrophobic surface: 362.809	Hydrophilic surface: 165.213

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.