MMsINC Database Search


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MMsINC code: MMs00477880

Type: Neutral
Formula: C₁₇H₁₅NO₃

SMILES:

O(C)c1cc2c(NC(=O)C=C2c2ccccc2)cc1OC

InChI:

InChI=1/C17H15NO3/c1-20-15-8-13-12(11-6-4-3-5-7-11)9-17(19)18-14(13)10-16(15)21-2/h3-10H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2964 kcal/mol

Physical Properties
Molecular Weight: 281.311 g/mol	logS: -4.09344	SlogP: 2.90489	Reactive groups: 0

Topological Properties
Globularity: 0.0654077	Sterimol/B1: 2.55865	Sterimol/B2: 3.10698	Sterimol/B3: 3.65598
Sterimol/B4: 9.82403	Sterimol/L: 14.5765

Surface and Volume Properties
Accessible surface: 504.131	Positive charged surface: 346.722	Negative charged surface: 157.41	Volume: 270
Hydrophobic surface: 415.705	Hydrophilic surface: 88.426

Pharmacophoric Properties
Hydrogen bond donors: 1	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.