MMsINC Database Search


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MMsINC code: MMs02690327

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

Oc1cc(O)cc(C)c1C(=O)Cc1ccccc1

InChI:

InChI=1/C15H14O3/c1-10-7-12(16)9-14(18)15(10)13(17)8-11-5-3-2-4-6-11/h2-7,9,16,18H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6065 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.26918	SlogP: 2.83159	Reactive groups: 0

Topological Properties
Globularity: 0.0349708	Sterimol/B1: 2.24763	Sterimol/B2: 3.00207	Sterimol/B3: 3.20097
Sterimol/B4: 6.69316	Sterimol/L: 14.8487

Surface and Volume Properties
Accessible surface: 466.117	Positive charged surface: 270.714	Negative charged surface: 195.402	Volume: 238.5
Hydrophobic surface: 352.493	Hydrophilic surface: 113.624

Pharmacophoric Properties
Hydrogen bond donors: 2	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.