MMsINC Database Search


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MMsINC code: MMs02118923

Type: Neutral
Formula: C₂₄H₂₀Cl₂N₂

SMILES:

Clc1cc(ccc1Cl)Cn1c2cc(C)c(cc2nc1\C=C\c1ccccc1)C

InChI:

InChI=1/C24H20Cl2N2/c1-16-12-22-23(13-17(16)2)28(15-19-8-10-20(25)21(26)14-19)24(27-22)11-9-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b11-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9019 kcal/mol

Physical Properties
Molecular Weight: 407.344 g/mol	logS: -7.96201	SlogP: 7.44504	Reactive groups: 0

Topological Properties
Globularity: 0.0601444	Sterimol/B1: 2.53744	Sterimol/B2: 3.7417	Sterimol/B3: 4.4852
Sterimol/B4: 10.7064	Sterimol/L: 17.1133

Surface and Volume Properties
Accessible surface: 676.692	Positive charged surface: 309.277	Negative charged surface: 367.415	Volume: 388
Hydrophobic surface: 644.775	Hydrophilic surface: 31.917

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.