MMsINC Database Search


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MMsINC code: MMs00361947

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2cc(ccc2C)C)ccc1Cl

InChI:

InChI=1/C19H18Cl2N2O2/c1-11-3-4-12(2)17(7-11)23-10-13(8-18(23)24)19(25)22-14-5-6-15(20)16(21)9-14/h3-7,9,13H,8,10H2,1-2H3,(H,22,25)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.2376 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -5.36762	SlogP: 4.60184	Reactive groups: 0

Topological Properties
Globularity: 0.0820846	Sterimol/B1: 2.47515	Sterimol/B2: 3.95547	Sterimol/B3: 5.56904
Sterimol/B4: 6.4363	Sterimol/L: 18.9987

Surface and Volume Properties
Accessible surface: 625.064	Positive charged surface: 308.038	Negative charged surface: 317.025	Volume: 339.125
Hydrophobic surface: 555.088	Hydrophilic surface: 69.976

Pharmacophoric Properties
Hydrogen bond donors: 1	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.