MMsINC Database Search


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MMsINC code: MMs01767096

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(N(C(=O)c2ccccc2)CC2=CC(=O)Nc3c2cccc3)cc1

InChI:

InChI=1/C24H20N2O3/c1-29-20-13-11-19(12-14-20)26(24(28)17-7-3-2-4-8-17)16-18-15-23(27)25-22-10-6-5-9-21(18)22/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.785 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.9335	SlogP: 4.3777	Reactive groups: 0

Topological Properties
Globularity: 0.166841	Sterimol/B1: 2.25811	Sterimol/B2: 3.84885	Sterimol/B3: 4.10538
Sterimol/B4: 10.6189	Sterimol/L: 13.2005

Surface and Volume Properties
Accessible surface: 604.66	Positive charged surface: 378.019	Negative charged surface: 226.641	Volume: 365.875
Hydrophobic surface: 489.18	Hydrophilic surface: 115.48

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.