MMsINC Database Search


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MMsINC code: MMs02732245

Type: Neutral
Formula: C₂₄H₁₈Cl₂N₂O

SMILES:

Clc1ccccc1C(=O)N1CCc2c([nH]c3c2cccc3)C1c1ccc(Cl)cc1

InChI:

InChI=1/C24H18Cl2N2O/c25-16-11-9-15(10-12-16)23-22-18(17-5-2-4-8-21(17)27-22)13-14-28(23)24(29)19-6-1-3-7-20(19)26/h1-12,23,27H,13-14H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.622 kcal/mol

Physical Properties
Molecular Weight: 421.327 g/mol	logS: -7.05609	SlogP: 6.35807	Reactive groups: 0

Topological Properties
Globularity: 0.296109	Sterimol/B1: 4.31755	Sterimol/B2: 5.09132	Sterimol/B3: 5.1195
Sterimol/B4: 9.11875	Sterimol/L: 14.4566

Surface and Volume Properties
Accessible surface: 631.917	Positive charged surface: 288.35	Negative charged surface: 338.251	Volume: 379.75
Hydrophobic surface: 593.886	Hydrophilic surface: 38.031

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.