MMsINC Database Search


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MMsINC code: MMs03346956

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO₂

SMILES:

Clc1cc(NC(OC(c2ccc(Cl)cc2)c2ccccc2)=O)ccc1

InChI:

InChI=1/C20H15Cl2NO2/c21-16-11-9-15(10-12-16)19(14-5-2-1-3-6-14)25-20(24)23-18-8-4-7-17(22)13-18/h1-13,19H,(H,23,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.496 kcal/mol

Physical Properties
Molecular Weight: 372.251 g/mol	logS: -6.66817	SlogP: 6.427	Reactive groups: 0

Topological Properties
Globularity: 0.119631	Sterimol/B1: 2.48406	Sterimol/B2: 3.49027	Sterimol/B3: 4.59214
Sterimol/B4: 9.70367	Sterimol/L: 16.9692

Surface and Volume Properties
Accessible surface: 628.451	Positive charged surface: 272.929	Negative charged surface: 355.522	Volume: 337
Hydrophobic surface: 584.559	Hydrophilic surface: 43.892

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.