MMsINC Database Search


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MMsINC code: MMs00649095

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1c2ncccc2ccc1C(NC(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N2O2/c27-21(16-17-8-3-1-4-9-17)26-22(18-10-5-2-6-11-18)20-14-13-19-12-7-15-25-23(19)24(20)28/h1-15,22,28H,16H2,(H,26,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.29 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.35487	SlogP: 4.48417	Reactive groups: 0

Topological Properties
Globularity: 0.111847	Sterimol/B1: 3.16733	Sterimol/B2: 3.38371	Sterimol/B3: 4.90063
Sterimol/B4: 8.17103	Sterimol/L: 18.1064

Surface and Volume Properties
Accessible surface: 638.999	Positive charged surface: 380.369	Negative charged surface: 253.909	Volume: 363.125
Hydrophobic surface: 566.843	Hydrophilic surface: 72.156

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.