MMsINC Database Search


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MMsINC code: MMs01040481

Type: Neutral
Formula: C₂₆H₂₃NO₃

SMILES:

O(C(=O)c1cc(n2c1C=CC=C2)C(=O)c1ccc(cc1C)C)Cc1ccccc1C

InChI:

InChI=1/C26H23NO3/c1-17-11-12-21(19(3)14-17)25(28)24-15-22(23-10-6-7-13-27(23)24)26(29)30-16-20-9-5-4-8-18(20)2/h4-15H,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.581 kcal/mol

Physical Properties
Molecular Weight: 397.474 g/mol	logS: -6.57294	SlogP: 5.76526	Reactive groups: 0

Topological Properties
Globularity: 0.0709324	Sterimol/B1: 2.01851	Sterimol/B2: 3.61734	Sterimol/B3: 4.77175
Sterimol/B4: 13.252	Sterimol/L: 15.0072

Surface and Volume Properties
Accessible surface: 693.29	Positive charged surface: 373.479	Negative charged surface: 319.811	Volume: 398.5
Hydrophobic surface: 632.476	Hydrophilic surface: 60.814

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.