MMsINC Database Search


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MMsINC code: MMs01299607

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₂

SMILES:

Clc1ccccc1NC(=O)c1ccccc1NC(=O)C

InChI:

InChI=1/C15H13ClN2O2/c1-10(19)17-13-8-4-2-6-11(13)15(20)18-14-9-5-3-7-12(14)16/h2-9H,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3071 kcal/mol

Physical Properties
Molecular Weight: 288.734 g/mol	logS: -4.29861	SlogP: 3.5507	Reactive groups: 0

Topological Properties
Globularity: 0.0157206	Sterimol/B1: 1.9769	Sterimol/B2: 2.60589	Sterimol/B3: 2.71577
Sterimol/B4: 8.90612	Sterimol/L: 13.3725

Surface and Volume Properties
Accessible surface: 503.013	Positive charged surface: 253.151	Negative charged surface: 249.862	Volume: 260.375
Hydrophobic surface: 441.878	Hydrophilic surface: 61.135

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.