MMsINC Database Search


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MMsINC code: MMs01301458

Type: Neutral
Formula: C₂₃H₁₅NO₃

SMILES:

Oc1c2c3C(=CC(=O)N(c3cc1)c1ccc(cc1)C)c1c(cccc1)C2=O

InChI:

InChI=1/C23H15NO3/c1-13-6-8-14(9-7-13)24-18-10-11-19(25)22-21(18)17(12-20(24)26)15-4-2-3-5-16(15)23(22)27/h2-12,25H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.88 kcal/mol

Physical Properties
Molecular Weight: 353.377 g/mol	logS: -6.24983	SlogP: 4.17231	Reactive groups: 0

Topological Properties
Globularity: 0.0390801	Sterimol/B1: 3.61391	Sterimol/B2: 3.63	Sterimol/B3: 4.28368
Sterimol/B4: 6.19146	Sterimol/L: 17.2368

Surface and Volume Properties
Accessible surface: 568.87	Positive charged surface: 315.503	Negative charged surface: 253.367	Volume: 330.125
Hydrophobic surface: 459.609	Hydrophilic surface: 109.261

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.