MMsINC Database Search


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MMsINC code: MMs00647675

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(=O)Nc1c(cc(cc1C)C)C

InChI:

InChI=1/C24H20N2O3/c1-14-12-15(2)21(16(3)13-14)25-22(27)17-8-10-18(11-9-17)26-23(28)19-6-4-5-7-20(19)24(26)29/h4-13H,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.493 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.52344	SlogP: 4.66476	Reactive groups: 0

Topological Properties
Globularity: 0.0241007	Sterimol/B1: 3.2016	Sterimol/B2: 3.7649	Sterimol/B3: 4.2841
Sterimol/B4: 4.88218	Sterimol/L: 21.1005

Surface and Volume Properties
Accessible surface: 645.234	Positive charged surface: 355.686	Negative charged surface: 289.549	Volume: 367.25
Hydrophobic surface: 551.455	Hydrophilic surface: 93.779

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.