MMsINC Database Search


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MMsINC code: MMs00637069

Type: Neutral
Formula: C₂₅H₂₇NO₂

SMILES:

O(C)c1ccc(cc1)C(NC(=O)C(C(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H27NO2/c1-18(2)23(19-10-6-4-7-11-19)25(27)26-24(20-12-8-5-9-13-20)21-14-16-22(28-3)17-15-21/h4-18,23-24H,1-3H3,(H,26,27)/t23-,24+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.72 kcal/mol

Physical Properties
Molecular Weight: 373.496 g/mol	logS: -6.41087	SlogP: 5.4361	Reactive groups: 0

Topological Properties
Globularity: 0.125835	Sterimol/B1: 2.50119	Sterimol/B2: 3.9625	Sterimol/B3: 4.59664
Sterimol/B4: 10.2034	Sterimol/L: 17.6175

Surface and Volume Properties
Accessible surface: 672.387	Positive charged surface: 425.423	Negative charged surface: 246.964	Volume: 393
Hydrophobic surface: 613.634	Hydrophilic surface: 58.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.