MMsINC Database Search


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MMsINC code: MMs00477632

Type: Neutral
Formula: C₁₅H₁₅Cl₂NO₃

SMILES:

ClC(Cl)C(=O)C=1C(=O)N(c2c(cccc2)C=1O)CCCC

InChI:

InChI=1/C15H15Cl2NO3/c1-2-3-8-18-10-7-5-4-6-9(10)12(19)11(15(18)21)13(20)14(16)17/h4-7,14,19H,2-3,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2446 kcal/mol

Physical Properties
Molecular Weight: 328.195 g/mol	logS: -4.57971	SlogP: 3.8951	Reactive groups: 1

Topological Properties
Globularity: 0.0900627	Sterimol/B1: 2.56194	Sterimol/B2: 4.33326	Sterimol/B3: 4.99377
Sterimol/B4: 7.51364	Sterimol/L: 14.4226

Surface and Volume Properties
Accessible surface: 530.944	Positive charged surface: 257.979	Negative charged surface: 272.964	Volume: 284.125
Hydrophobic surface: 310.284	Hydrophilic surface: 220.66

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.