MMsINC Database Search


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MMsINC code: MMs01256006

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1CN1C(=O)C2(NC1=O)CCCc1c2cccc1

InChI:

InChI=1/C19H16Cl2N2O2/c20-15-8-3-9-16(21)13(15)11-23-17(24)19(22-18(23)25)10-4-6-12-5-1-2-7-14(12)19/h1-3,5,7-9H,4,6,10-11H2,(H,22,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5958 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -5.93973	SlogP: 4.85487	Reactive groups: 0

Topological Properties
Globularity: 0.125002	Sterimol/B1: 3.31111	Sterimol/B2: 4.37519	Sterimol/B3: 4.97902
Sterimol/B4: 6.61268	Sterimol/L: 14.9826

Surface and Volume Properties
Accessible surface: 546.409	Positive charged surface: 278.457	Negative charged surface: 267.952	Volume: 324.125
Hydrophobic surface: 481.273	Hydrophilic surface: 65.136

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.