MMsINC Database Search


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MMsINC code: MMs01042540

Type: Neutral
Formula: C₂₄H₂₀N₂O₄

SMILES:

O=C1N(c2ccc(cc2)C)C(=O)N(c2c1cccc2)CC(OCc1ccccc1)=O

InChI:

InChI=1/C24H20N2O4/c1-17-11-13-19(14-12-17)26-23(28)20-9-5-6-10-21(20)25(24(26)29)15-22(27)30-16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.651 kcal/mol

Physical Properties
Molecular Weight: 400.434 g/mol	logS: -6.19977	SlogP: 4.59162	Reactive groups: 1

Topological Properties
Globularity: 0.0430128	Sterimol/B1: 2.44022	Sterimol/B2: 3.39385	Sterimol/B3: 3.70505
Sterimol/B4: 10.9732	Sterimol/L: 19.0842

Surface and Volume Properties
Accessible surface: 693.865	Positive charged surface: 393.877	Negative charged surface: 299.987	Volume: 381.875
Hydrophobic surface: 597.633	Hydrophilic surface: 96.232

Pharmacophoric Properties
Hydrogen bond donors: 0	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.