MMsINC Database Search


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MMsINC code: MMs00913853

Type: Neutral
Formula: C₂₃H₁₈ClNO₂

SMILES:

Clc1ccc(OCCn2cc(c3c2cccc3)C(=O)c2ccccc2)cc1

InChI:

InChI=1/C23H18ClNO2/c24-18-10-12-19(13-11-18)27-15-14-25-16-21(20-8-4-5-9-22(20)25)23(26)17-6-2-1-3-7-17/h1-13,16H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9608 kcal/mol

Physical Properties
Molecular Weight: 375.855 g/mol	logS: -6.22061	SlogP: 5.8711	Reactive groups: 0

Topological Properties
Globularity: 0.0987812	Sterimol/B1: 2.48912	Sterimol/B2: 3.55148	Sterimol/B3: 4.52398
Sterimol/B4: 10.5147	Sterimol/L: 17.1283

Surface and Volume Properties
Accessible surface: 654.468	Positive charged surface: 320.711	Negative charged surface: 328.359	Volume: 359.5
Hydrophobic surface: 610.011	Hydrophilic surface: 44.457

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.