MMsINC Database Search


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MMsINC code: MMs00078929

Type: Neutral
Formula: C₁₉H₁₄ClNO

SMILES:

Clc1ccc(cc1)C1CC(=O)Nc2c1ccc1c2cccc1

InChI:

InChI=1/C19H14ClNO/c20-14-8-5-13(6-9-14)17-11-18(22)21-19-15-4-2-1-3-12(15)7-10-16(17)19/h1-10,17H,11H2,(H,21,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.267 kcal/mol

Physical Properties
Molecular Weight: 307.78 g/mol	logS: -5.90739	SlogP: 4.9673	Reactive groups: 0

Topological Properties
Globularity: 0.208984	Sterimol/B1: 4.35762	Sterimol/B2: 4.37262	Sterimol/B3: 5.25622
Sterimol/B4: 5.51309	Sterimol/L: 14.3717

Surface and Volume Properties
Accessible surface: 518.014	Positive charged surface: 235.046	Negative charged surface: 271.897	Volume: 285.125
Hydrophobic surface: 463.981	Hydrophilic surface: 54.033

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.