MMsINC Database Search


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MMsINC code: MMs00502887

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO

SMILES:

Clc1cc(Cl)cc(\C=N\C(C)c2ccccc2)c1O

InChI:

InChI=1/C15H13Cl2NO/c1-10(11-5-3-2-4-6-11)18-9-12-7-13(16)8-14(17)15(12)19/h2-10,19H,1H3/b18-9+/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4058 kcal/mol

Physical Properties
Molecular Weight: 294.181 g/mol	logS: -4.6875	SlogP: 4.9746	Reactive groups: 0

Topological Properties
Globularity: 0.132972	Sterimol/B1: 2.09453	Sterimol/B2: 2.16857	Sterimol/B3: 5.90587
Sterimol/B4: 6.45052	Sterimol/L: 14.4847

Surface and Volume Properties
Accessible surface: 516.654	Positive charged surface: 236.244	Negative charged surface: 280.411	Volume: 267.875
Hydrophobic surface: 460.745	Hydrophilic surface: 55.909

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

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Ions/Tautomers related molecules: no related molecules available.