MMsINC Database Search


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MMsINC code: MMs00656998

Type: Neutral
Formula: C₂₃H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1CN1c2c(cccc2)C(O)(c2c3c([nH]c2)cccc3)C1=O

InChI:

InChI=1/C23H16Cl2N2O2/c24-15-10-9-14(19(25)11-15)13-27-21-8-4-2-6-17(21)23(29,22(27)28)18-12-26-20-7-3-1-5-16(18)20/h1-12,26,29H,13H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.064 kcal/mol

Physical Properties
Molecular Weight: 423.299 g/mol	logS: -6.69512	SlogP: 5.8353	Reactive groups: 0

Topological Properties
Globularity: 0.203364	Sterimol/B1: 2.42862	Sterimol/B2: 5.4976	Sterimol/B3: 5.5906
Sterimol/B4: 6.7823	Sterimol/L: 17.0809

Surface and Volume Properties
Accessible surface: 617.03	Positive charged surface: 280.329	Negative charged surface: 334.48	Volume: 372.875
Hydrophobic surface: 519.085	Hydrophilic surface: 97.945

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.