MMsINC Database Search


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MMsINC code: MMs02735426

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₂

SMILES:

Clc1ccc(NC(=O)N(Cc2ccccc2)Cc2oc(cc2)C)cc1

InChI:

InChI=1/C20H19ClN2O2/c1-15-7-12-19(25-15)14-23(13-16-5-3-2-4-6-16)20(24)22-18-10-8-17(21)9-11-18/h2-12H,13-14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6689 kcal/mol

Physical Properties
Molecular Weight: 354.837 g/mol	logS: -5.65725	SlogP: 6.00852	Reactive groups: 0

Topological Properties
Globularity: 0.13602	Sterimol/B1: 2.17677	Sterimol/B2: 3.13246	Sterimol/B3: 4.50465
Sterimol/B4: 12.0392	Sterimol/L: 15.4162

Surface and Volume Properties
Accessible surface: 624.585	Positive charged surface: 322.611	Negative charged surface: 301.974	Volume: 341.25
Hydrophobic surface: 587.697	Hydrophilic surface: 36.888

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.