MMsINC Database Search


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MMsINC code: MMs00479808

Type: Neutral
Formula: C₂₃H₁₆ClNO₃

SMILES:

Clc1ccc(cc1)C(OC1=CC(=O)N(c2c1cccc2)Cc1ccccc1)=O

InChI:

InChI=1/C23H16ClNO3/c24-18-12-10-17(11-13-18)23(27)28-21-14-22(26)25(15-16-6-2-1-3-7-16)20-9-5-4-8-19(20)21/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.191 kcal/mol

Physical Properties
Molecular Weight: 389.838 g/mol	logS: -6.76148	SlogP: 5.3511	Reactive groups: 0

Topological Properties
Globularity: 0.0761862	Sterimol/B1: 2.30302	Sterimol/B2: 3.49899	Sterimol/B3: 5.54093
Sterimol/B4: 6.43406	Sterimol/L: 18.8233

Surface and Volume Properties
Accessible surface: 628.424	Positive charged surface: 296.683	Negative charged surface: 331.741	Volume: 355.125
Hydrophobic surface: 563.943	Hydrophilic surface: 64.481

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.