MMsINC Database Search


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MMsINC code: MMs00801614

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)N(C)c1ccccc1)c1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-26(20-12-6-3-7-13-20)23(27)18-29-22-15-9-8-14-21(22)24(28)25-17-16-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.975 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.3012	SlogP: 3.70087	Reactive groups: 0

Topological Properties
Globularity: 0.0406066	Sterimol/B1: 3.33952	Sterimol/B2: 3.90023	Sterimol/B3: 6.44816
Sterimol/B4: 7.49492	Sterimol/L: 17.9015

Surface and Volume Properties
Accessible surface: 718.13	Positive charged surface: 443.715	Negative charged surface: 274.415	Volume: 390.125
Hydrophobic surface: 653.399	Hydrophilic surface: 64.731

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.