MMsINC Database Search


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MMsINC code: MMs00601512

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₂

SMILES:

Clc1ccc(NC(=O)Nc2ccccc2OC)cc1

InChI:

InChI=1/C14H13ClN2O2/c1-19-13-5-3-2-4-12(13)17-14(18)16-11-8-6-10(15)7-9-11/h2-9H,1H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7811 kcal/mol

Physical Properties
Molecular Weight: 276.723 g/mol	logS: -4.03672	SlogP: 3.9926	Reactive groups: 0

Topological Properties
Globularity: 0.0420223	Sterimol/B1: 2.55347	Sterimol/B2: 2.74584	Sterimol/B3: 3.62708
Sterimol/B4: 6.92228	Sterimol/L: 15.8528

Surface and Volume Properties
Accessible surface: 496.484	Positive charged surface: 287.767	Negative charged surface: 208.716	Volume: 252.5
Hydrophobic surface: 436.312	Hydrophilic surface: 60.172

Pharmacophoric Properties
Hydrogen bond donors: 2	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.