MMsINC Database Search


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MMsINC code: MMs00382113

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(N\C=C/2\N=C(OC\2=O)c2ccccc2)ccc1Cl

InChI:

InChI=1/C16H10Cl2N2O2/c17-12-7-6-11(8-13(12)18)19-9-14-16(21)22-15(20-14)10-4-2-1-3-5-10/h1-9,19H/b14-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0367 kcal/mol

Physical Properties
Molecular Weight: 333.174 g/mol	logS: -6.11524	SlogP: 4.2503	Reactive groups: 0

Topological Properties
Globularity: 2.93948e-07	Sterimol/B1: 2.10019	Sterimol/B2: 2.10088	Sterimol/B3: 3.26401
Sterimol/B4: 6.65639	Sterimol/L: 18.0208

Surface and Volume Properties
Accessible surface: 553.559	Positive charged surface: 221.204	Negative charged surface: 332.354	Volume: 285
Hydrophobic surface: 458.841	Hydrophilic surface: 94.718

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.