MMsINC Database Search


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MMsINC code: MMs02735110

Type: Neutral
Formula: C₂₅H₂₆N₂O₃

SMILES:

O(C)c1ccc(N(C\C(=C\c2ccccc2)\C)C(=O)Nc2ccc(OC)cc2)cc1

InChI:

InChI=1/C25H26N2O3/c1-19(17-20-7-5-4-6-8-20)18-27(22-11-15-24(30-3)16-12-22)25(28)26-21-9-13-23(29-2)14-10-21/h4-17H,18H2,1-3H3,(H,26,28)/b19-17-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.616 kcal/mol

Physical Properties
Molecular Weight: 402.494 g/mol	logS: -5.53749	SlogP: 5.8458	Reactive groups: 0

Topological Properties
Globularity: 0.0862844	Sterimol/B1: 2.51753	Sterimol/B2: 4.51338	Sterimol/B3: 6.26794
Sterimol/B4: 8.08526	Sterimol/L: 17.9919

Surface and Volume Properties
Accessible surface: 686.884	Positive charged surface: 457.027	Negative charged surface: 229.857	Volume: 403.625
Hydrophobic surface: 643.814	Hydrophilic surface: 43.07

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.