MMsINC Database Search


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MMsINC code: MMs00647671

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C23H18N2O3/c1-14-6-5-9-20(15(14)2)24-21(26)16-10-12-17(13-11-16)25-22(27)18-7-3-4-8-19(18)23(25)28/h3-13H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.511 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.36297	SlogP: 4.35634	Reactive groups: 0

Topological Properties
Globularity: 0.00774053	Sterimol/B1: 2.33293	Sterimol/B2: 2.86808	Sterimol/B3: 3.0087
Sterimol/B4: 5.82767	Sterimol/L: 20.5958

Surface and Volume Properties
Accessible surface: 616.041	Positive charged surface: 328.944	Negative charged surface: 287.097	Volume: 348.25
Hydrophobic surface: 518.589	Hydrophilic surface: 97.452

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.