MMsINC Database Search


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MMsINC code: MMs00194529

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCc1ccccc1

InChI:

InChI=1/C18H14Cl2N2O2/c1-11-15(18(23)21-10-12-6-3-2-4-7-12)17(22-24-11)16-13(19)8-5-9-14(16)20/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5443 kcal/mol

Physical Properties
Molecular Weight: 361.228 g/mol	logS: -6.12241	SlogP: 5.15322	Reactive groups: 0

Topological Properties
Globularity: 0.159612	Sterimol/B1: 2.35199	Sterimol/B2: 4.70173	Sterimol/B3: 4.70452
Sterimol/B4: 9.98258	Sterimol/L: 12.697

Surface and Volume Properties
Accessible surface: 579.729	Positive charged surface: 260.616	Negative charged surface: 319.114	Volume: 317.875
Hydrophobic surface: 532.591	Hydrophilic surface: 47.138

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

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Ions/Tautomers related molecules: no related molecules available.