MMsINC Database Search


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

MMsINC code: MMs00112897

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cccc(NC(=O)c2ccccc2OC)c1C

InChI:

InChI=1/C15H14ClNO2/c1-10-12(16)7-5-8-13(10)17-15(18)11-6-3-4-9-14(11)19-2/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)=87.911 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.30001	SlogP: 3.90932	Reactive groups: 0

Topological Properties
Globularity: 0.0311398	Sterimol/B1: 2.34902	Sterimol/B2: 2.92809	Sterimol/B3: 3.36104
Sterimol/B4: 6.90571	Sterimol/L: 14.3368

Surface and Volume Properties
Accessible surface: 494.893	Positive charged surface: 279.732	Negative charged surface: 215.161	Volume: 256.75
Hydrophobic surface: 464.466	Hydrophilic surface: 30.427

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.