MMsINC Database Search


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MMsINC code: MMs00595252

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

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

InChI:

InChI=1/C14H12ClNO2/c15-11-7-4-8-12(9-11)16-14(18)13(17)10-5-2-1-3-6-10/h1-9,13,17H,(H,16,18)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5333 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -3.88662	SlogP: 3.1076	Reactive groups: 0

Topological Properties
Globularity: 0.116526	Sterimol/B1: 3.35671	Sterimol/B2: 3.88304	Sterimol/B3: 4.30347
Sterimol/B4: 6.14142	Sterimol/L: 13.0343

Surface and Volume Properties
Accessible surface: 478.266	Positive charged surface: 219.647	Negative charged surface: 258.619	Volume: 240
Hydrophobic surface: 403.304	Hydrophilic surface: 74.962

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

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Ions/Tautomers related molecules: no related molecules available.