MMsINC Database Search


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MMsINC code: MMs01941112

Type: Neutral
Formula: C₂₅H₂₅NO₃

SMILES:

O(C)c1cc2CCN(Cc2cc1OC)C(=O)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C25H25NO3/c1-28-23-15-19-12-13-26(17-21(19)16-24(23)29-2)25(27)22-11-7-6-10-20(22)14-18-8-4-3-5-9-18/h3-11,15-16H,12-14,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.821 kcal/mol

Physical Properties
Molecular Weight: 387.479 g/mol	logS: -5.59393	SlogP: 4.75944	Reactive groups: 0

Topological Properties
Globularity: 0.186196	Sterimol/B1: 3.45556	Sterimol/B2: 3.8994	Sterimol/B3: 5.72758
Sterimol/B4: 6.79515	Sterimol/L: 16.2175

Surface and Volume Properties
Accessible surface: 643.113	Positive charged surface: 445.947	Negative charged surface: 197.166	Volume: 389.875
Hydrophobic surface: 601.507	Hydrophilic surface: 41.606

Pharmacophoric Properties
Hydrogen bond donors: 0	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.