MMsINC Database Search


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MMsINC code: MMs03130220

Type: Neutral
Formula: C₂₅H₂₄O₂

SMILES:

OC1(c2c(C=Cc3c1cccc3)cccc2)CCCOCc1ccccc1

InChI:

InChI=1/C25H24O2/c26-25(17-8-18-27-19-20-9-2-1-3-10-20)23-13-6-4-11-21(23)15-16-22-12-5-7-14-24(22)25/h1-7,9-16,26H,8,17-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.713 kcal/mol

Physical Properties
Molecular Weight: 356.465 g/mol	logS: -5.83966	SlogP: 5.9812	Reactive groups: 0

Topological Properties
Globularity: 0.117146	Sterimol/B1: 3.60221	Sterimol/B2: 4.26033	Sterimol/B3: 4.90892
Sterimol/B4: 6.14406	Sterimol/L: 18.3659

Surface and Volume Properties
Accessible surface: 650.84	Positive charged surface: 394.693	Negative charged surface: 256.146	Volume: 366.625
Hydrophobic surface: 619.789	Hydrophilic surface: 31.051

Pharmacophoric Properties
Hydrogen bond donors: 1	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.