MMsINC Database Search


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MMsINC code: MMs02788666

Type: Neutral
Formula: C₂₄H₂₅NO₄

SMILES:

O(C)c1ccccc1C(=O)NC(c1ccc(OCC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C24H25NO4/c1-4-29-20-15-11-18(12-16-20)23(17-9-13-19(27-2)14-10-17)25-24(26)21-7-5-6-8-22(21)28-3/h5-16,23H,4H2,1-3H3,(H,25,26)/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.978 kcal/mol

Physical Properties
Molecular Weight: 391.467 g/mol	logS: -5.54516	SlogP: 4.7174	Reactive groups: 0

Topological Properties
Globularity: 0.15855	Sterimol/B1: 2.97962	Sterimol/B2: 3.89997	Sterimol/B3: 5.17718
Sterimol/B4: 10.697	Sterimol/L: 17.7158

Surface and Volume Properties
Accessible surface: 707.442	Positive charged surface: 483.09	Negative charged surface: 224.352	Volume: 388.625
Hydrophobic surface: 639.311	Hydrophilic surface: 68.131

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.