MMsINC Database Search


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MMsINC code: MMs00623609

Type: Neutral
Formula: C₁₉H₁₄ClNO₂

SMILES:

Clc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)c(O)cc1

InChI:

InChI=1/C19H14ClNO2/c20-16-10-11-18(22)17(12-16)21-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,22H,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.454 kcal/mol

Physical Properties
Molecular Weight: 323.779 g/mol	logS: -6.15359	SlogP: 4.9649	Reactive groups: 0

Topological Properties
Globularity: 0.0107453	Sterimol/B1: 2.82679	Sterimol/B2: 2.89161	Sterimol/B3: 3.88778
Sterimol/B4: 5.04202	Sterimol/L: 18.4975

Surface and Volume Properties
Accessible surface: 568.021	Positive charged surface: 252.512	Negative charged surface: 304.437	Volume: 299
Hydrophobic surface: 488.933	Hydrophilic surface: 79.088

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.