MMsINC Database Search


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MMsINC code: MMs01765239

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1cc(N(C(=O)c2cc(ccc2)C)CC2=Cc3cc(ccc3NC2=O)C)ccc1

InChI:

InChI=1/C26H24N2O3/c1-17-6-4-7-19(12-17)26(30)28(22-8-5-9-23(15-22)31-3)16-21-14-20-13-18(2)10-11-24(20)27-25(21)29/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.926 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.88134	SlogP: 4.99454	Reactive groups: 0

Topological Properties
Globularity: 0.164276	Sterimol/B1: 2.31877	Sterimol/B2: 5.50464	Sterimol/B3: 6.03435
Sterimol/B4: 9.34611	Sterimol/L: 15.1937

Surface and Volume Properties
Accessible surface: 673.337	Positive charged surface: 439.75	Negative charged surface: 233.587	Volume: 400.625
Hydrophobic surface: 600.294	Hydrophilic surface: 73.043

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.