MMsINC Database Search


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MMsINC code: MMs00916808

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCCOC

InChI:

InChI=1/C14H14Cl2N2O3/c1-8-11(14(19)17-6-7-20-2)13(18-21-8)12-9(15)4-3-5-10(12)16/h3-5H,6-7H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1814 kcal/mol

Physical Properties
Molecular Weight: 329.183 g/mol	logS: -4.49715	SlogP: 3.33302	Reactive groups: 0

Topological Properties
Globularity: 0.200803	Sterimol/B1: 2.52009	Sterimol/B2: 4.50402	Sterimol/B3: 4.95368
Sterimol/B4: 8.73409	Sterimol/L: 12.8244

Surface and Volume Properties
Accessible surface: 546.017	Positive charged surface: 302.759	Negative charged surface: 243.258	Volume: 282.25
Hydrophobic surface: 497.189	Hydrophilic surface: 48.828

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.