MMsINC Database Search


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MMsINC code: MMs00140697

Type: Neutral
Formula: C₁₆H₁₂ClNO₂

SMILES:

Clc1cc2c(NC(=O)C(Cc3ccccc3)=C2O)cc1

InChI:

InChI=1/C16H12ClNO2/c17-11-6-7-14-12(9-11)15(19)13(16(20)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2101 kcal/mol

Physical Properties
Molecular Weight: 285.73 g/mol	logS: -4.46252	SlogP: 3.80387	Reactive groups: 0

Topological Properties
Globularity: 0.11642	Sterimol/B1: 2.26715	Sterimol/B2: 3.9499	Sterimol/B3: 4.74407
Sterimol/B4: 5.19516	Sterimol/L: 14.0135

Surface and Volume Properties
Accessible surface: 482.669	Positive charged surface: 243.185	Negative charged surface: 239.483	Volume: 257.125
Hydrophobic surface: 402.097	Hydrophilic surface: 80.572

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.