MMsINC Database Search


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MMsINC code: MMs02341060

Type: Neutral
Formula: C₂₅H₂₀O₄

SMILES:

O(C(=O)C)c1ccc2c(cccc2)c1Cc1c2c(ccc1OC(=O)C)cccc2

InChI:

InChI=1/C25H20O4/c1-16(26)28-24-13-11-18-7-3-5-9-20(18)22(24)15-23-21-10-6-4-8-19(21)12-14-25(23)29-17(2)27/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.415 kcal/mol

Physical Properties
Molecular Weight: 384.431 g/mol	logS: -7.65061	SlogP: 5.43437	Reactive groups: 0

Topological Properties
Globularity: 0.160661	Sterimol/B1: 2.36186	Sterimol/B2: 2.93581	Sterimol/B3: 4.9124
Sterimol/B4: 8.11556	Sterimol/L: 14.2004

Surface and Volume Properties
Accessible surface: 578.829	Positive charged surface: 295.053	Negative charged surface: 265.465	Volume: 364.5
Hydrophobic surface: 514.847	Hydrophilic surface: 63.982

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.