MMsINC Database Search


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MMsINC code: MMs02716628

Type: Neutral
Formula: C₂₅H₂₀N₂O₂

SMILES:

O=C(c1ccc(cc1NC(=O)Nc1c2c(ccc1)cccc2)C)c1ccccc1

InChI:

InChI=1/C25H20N2O2/c1-17-14-15-21(24(28)19-9-3-2-4-10-19)23(16-17)27-25(29)26-22-13-7-11-18-8-5-6-12-20(18)22/h2-16H,1H3,(H2,26,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.326 kcal/mol

Physical Properties
Molecular Weight: 380.447 g/mol	logS: -7.67666	SlogP: 6.02322	Reactive groups: 0

Topological Properties
Globularity: 0.135298	Sterimol/B1: 2.05883	Sterimol/B2: 4.29578	Sterimol/B3: 4.48862
Sterimol/B4: 11.4389	Sterimol/L: 15.7592

Surface and Volume Properties
Accessible surface: 655.741	Positive charged surface: 351.496	Negative charged surface: 293.24	Volume: 375.875
Hydrophobic surface: 593.957	Hydrophilic surface: 61.784

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.