MMsINC Database Search


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MMsINC code: MMs03920168

Type: Neutral
Formula: C₂₀H₁₆ClNO₂

SMILES:

Clc1ccccc1-c1oc(cc1)\C=C\C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C20H16ClNO2/c1-14-5-4-6-15(13-14)22-20(23)12-10-16-9-11-19(24-16)17-7-2-3-8-18(17)21/h2-13H,1H3,(H,22,23)/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.5126 kcal/mol

Physical Properties
Molecular Weight: 337.806 g/mol	logS: -7.21565	SlogP: 5.56032	Reactive groups: 0

Topological Properties
Globularity: 0.0242661	Sterimol/B1: 2.77724	Sterimol/B2: 3.50805	Sterimol/B3: 3.88505
Sterimol/B4: 5.98734	Sterimol/L: 18.6899

Surface and Volume Properties
Accessible surface: 612.547	Positive charged surface: 317.666	Negative charged surface: 294.881	Volume: 319
Hydrophobic surface: 563.429	Hydrophilic surface: 49.118

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.