MMsINC Database Search


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MMsINC code: MMs03733775

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(NC(OC(C)c2ccccc2)=O)ccc1

InChI:

InChI=1/C15H14ClNO2/c1-11(12-6-3-2-4-7-12)19-15(18)17-14-9-5-8-13(16)10-14/h2-11H,1H3,(H,17,18)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.776 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.49319	SlogP: 4.7452	Reactive groups: 0

Topological Properties
Globularity: 0.0826128	Sterimol/B1: 2.00484	Sterimol/B2: 3.90374	Sterimol/B3: 5.05181
Sterimol/B4: 5.62099	Sterimol/L: 15.8125

Surface and Volume Properties
Accessible surface: 520.423	Positive charged surface: 264.058	Negative charged surface: 256.365	Volume: 259.125
Hydrophobic surface: 450.137	Hydrophilic surface: 70.286

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.