MMsINC Database Search


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MMsINC code: MMs00279900

Type: Neutral
Formula: C₂₄H₁₈ClNO₂

SMILES:

Clc1ccccc1C(NC(=O)c1ccccc1)c1c2c(ccc1O)cccc2

InChI:

InChI=1/C24H18ClNO2/c25-20-13-7-6-12-19(20)23(26-24(28)17-9-2-1-3-10-17)22-18-11-5-4-8-16(18)14-15-21(22)27/h1-15,23,27H,(H,26,28)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.613 kcal/mol

Physical Properties
Molecular Weight: 387.866 g/mol	logS: -7.31703	SlogP: 5.8137	Reactive groups: 0

Topological Properties
Globularity: 0.227128	Sterimol/B1: 2.44122	Sterimol/B2: 4.6345	Sterimol/B3: 5.1507
Sterimol/B4: 8.72372	Sterimol/L: 15.4877

Surface and Volume Properties
Accessible surface: 612.612	Positive charged surface: 294.57	Negative charged surface: 309.425	Volume: 363.875
Hydrophobic surface: 563.982	Hydrophilic surface: 48.63

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.