MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00518426

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)NC(C)c1ccc(O)cc1

InChI:

InChI=1/C15H14ClNO2/c1-10(11-4-8-14(18)9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-10,18H,1H3,(H,17,19)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1905 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -3.99846	SlogP: 3.6321	Reactive groups: 0

Topological Properties
Globularity: 0.0687732	Sterimol/B1: 2.14163	Sterimol/B2: 2.34522	Sterimol/B3: 4.46369
Sterimol/B4: 6.49507	Sterimol/L: 15.6841

Surface and Volume Properties
Accessible surface: 512.214	Positive charged surface: 248.532	Negative charged surface: 263.682	Volume: 259.125
Hydrophobic surface: 405.645	Hydrophilic surface: 106.569

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.