MMsINC Database Search


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MMsINC code: MMs00102240

Type: Neutral
Formula: C₁₅H₁₄ClNO₃

SMILES:

Clc1cc(ccc1)C(=O)Nc1cc(OC)ccc1OC

InChI:

InChI=1/C15H14ClNO3/c1-19-12-6-7-14(20-2)13(9-12)17-15(18)10-4-3-5-11(16)8-10/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7272 kcal/mol

Physical Properties
Molecular Weight: 291.734 g/mol	logS: -4.18992	SlogP: 3.6095	Reactive groups: 0

Topological Properties
Globularity: 0.0196053	Sterimol/B1: 2.52736	Sterimol/B2: 2.90802	Sterimol/B3: 2.97356
Sterimol/B4: 8.6093	Sterimol/L: 14.8357

Surface and Volume Properties
Accessible surface: 522.072	Positive charged surface: 315.114	Negative charged surface: 206.958	Volume: 266.375
Hydrophobic surface: 471.876	Hydrophilic surface: 50.196

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.