MMsINC Database Search


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MMsINC code: MMs02156237

Type: Neutral
Formula: C₁₉H₁₄ClNO₂

SMILES:

Clc1ccc(NC(Oc2ccc(cc2)-c2ccccc2)=O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3889 kcal/mol

Physical Properties
Molecular Weight: 323.779 g/mol	logS: -6.55679	SlogP: 5.6179	Reactive groups: 0

Topological Properties
Globularity: 0.0562576	Sterimol/B1: 3.31259	Sterimol/B2: 3.53112	Sterimol/B3: 3.86729
Sterimol/B4: 5.19853	Sterimol/L: 19.031

Surface and Volume Properties
Accessible surface: 577.658	Positive charged surface: 261.593	Negative charged surface: 304.994	Volume: 300.375
Hydrophobic surface: 522.636	Hydrophilic surface: 55.022

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.