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MMsINC code: MMs02542838

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₂

SMILES:

Clc1ccccc1OCc1ccc(cc1)C(=O)NN

InChI:

InChI=1/C14H13ClN2O2/c15-12-3-1-2-4-13(12)19-9-10-5-7-11(8-6-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.92 kcal/mol

Physical Properties
Molecular Weight: 276.723 g/mol	logS: -4.1695	SlogP: 2.7889	Reactive groups: 0

Topological Properties
Globularity: 0.0577518	Sterimol/B1: 2.46327	Sterimol/B2: 2.86432	Sterimol/B3: 4.85931
Sterimol/B4: 4.91488	Sterimol/L: 17.1239

Surface and Volume Properties
Accessible surface: 510.145	Positive charged surface: 258.561	Negative charged surface: 251.584	Volume: 252.375
Hydrophobic surface: 376.168	Hydrophilic surface: 133.977

Pharmacophoric Properties
Hydrogen bond donors: 2	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.