MMsINC Database Search


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MMsINC code: MMs00986547

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1cc(ccc1NC(=O)COC1=CC(=O)N(c2c1cccc2)CC)C

InChI:

InChI=1/C20H19ClN2O3/c1-3-23-17-7-5-4-6-14(17)18(11-20(23)25)26-12-19(24)22-16-9-8-13(2)10-15(16)21/h4-11H,3,12H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.5347 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -5.72746	SlogP: 4.01112	Reactive groups: 0

Topological Properties
Globularity: 0.017096	Sterimol/B1: 2.13514	Sterimol/B2: 3.70325	Sterimol/B3: 3.77743
Sterimol/B4: 7.21004	Sterimol/L: 19.2382

Surface and Volume Properties
Accessible surface: 638.691	Positive charged surface: 352.858	Negative charged surface: 285.832	Volume: 342.125
Hydrophobic surface: 538.466	Hydrophilic surface: 100.225

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.