MMsINC Database Search


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MMsINC code: MMs00043485

Type: Neutral
Formula: C₁₄H₁₃Cl₂NO

SMILES:

Clc1ccc(cc1)CN(O)Cc1ccc(Cl)cc1

InChI:

InChI=1/C14H13Cl2NO/c15-13-5-1-11(2-6-13)9-17(18)10-12-3-7-14(16)8-4-12/h1-8,18H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1272 kcal/mol

Physical Properties
Molecular Weight: 282.17 g/mol	logS: -4.16525	SlogP: 4.9176	Reactive groups: 0

Topological Properties
Globularity: 0.116402	Sterimol/B1: 2.49469	Sterimol/B2: 3.64946	Sterimol/B3: 4.13358
Sterimol/B4: 5.04957	Sterimol/L: 16.1766

Surface and Volume Properties
Accessible surface: 507.752	Positive charged surface: 231.473	Negative charged surface: 276.28	Volume: 255.75
Hydrophobic surface: 468.474	Hydrophilic surface: 39.278

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

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Ions/Tautomers related molecules: no related molecules available.