MMsINC Database Search


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MMsINC code: MMs00921206

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(C)c(cc1)C

InChI:

InChI=1/C24H20N2O2/c1-16-7-11-19(15-17(16)2)26-23(14-10-18-8-12-20(27)13-9-18)25-22-6-4-3-5-21(22)24(26)28/h3-15,27H,1-2H3/b14-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.385 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.76893	SlogP: 5.41284	Reactive groups: 0

Topological Properties
Globularity: 0.0851474	Sterimol/B1: 2.15501	Sterimol/B2: 3.48865	Sterimol/B3: 4.88425
Sterimol/B4: 11.4176	Sterimol/L: 16.5277

Surface and Volume Properties
Accessible surface: 648.745	Positive charged surface: 368.905	Negative charged surface: 279.84	Volume: 362.25
Hydrophobic surface: 556.176	Hydrophilic surface: 92.569

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

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Ions/Tautomers related molecules: no related molecules available.