MMsINC Database Search


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MMsINC code: MMs00087300

Type: Neutral
Formula: C₁₇H₁₅NO₃

SMILES:

O1c2cc(ccc2OC1)\C=C\C(=O)N(C)c1ccccc1

InChI:

InChI=1/C17H15NO3/c1-18(14-5-3-2-4-6-14)17(19)10-8-13-7-9-15-16(11-13)21-12-20-15/h2-11H,12H2,1H3/b10-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4243 kcal/mol

Physical Properties
Molecular Weight: 281.311 g/mol	logS: -3.7098	SlogP: 3.0915	Reactive groups: 0

Topological Properties
Globularity: 0.0316947	Sterimol/B1: 2.06374	Sterimol/B2: 2.70189	Sterimol/B3: 4.02384
Sterimol/B4: 5.69787	Sterimol/L: 18.2158

Surface and Volume Properties
Accessible surface: 521.042	Positive charged surface: 320.744	Negative charged surface: 200.299	Volume: 273.5
Hydrophobic surface: 436.839	Hydrophilic surface: 84.203

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.