MMsINC Database Search


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MMsINC code: MMs02914021

Type: Neutral
Formula: C₁₄H₁₅ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)c1c(noc1C)CC

InChI:

InChI=1/C14H15ClN2O2/c1-3-12-13(9(2)19-17-12)14(18)16-8-10-6-4-5-7-11(10)15/h4-7H,3,8H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7458 kcal/mol

Physical Properties
Molecular Weight: 278.739 g/mol	logS: -3.5081	SlogP: 3.39519	Reactive groups: 0

Topological Properties
Globularity: 0.120659	Sterimol/B1: 2.47453	Sterimol/B2: 2.53103	Sterimol/B3: 4.86316
Sterimol/B4: 7.76514	Sterimol/L: 13.1807

Surface and Volume Properties
Accessible surface: 500.765	Positive charged surface: 256.52	Negative charged surface: 244.245	Volume: 261.5
Hydrophobic surface: 414.935	Hydrophilic surface: 85.83

Pharmacophoric Properties
Hydrogen bond donors: 1	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.