MMsINC Database Search


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MMsINC code: MMs00866939

Type: Neutral
Formula: C₂₅H₂₀N₂O₃

SMILES:

O(Cc1ccccc1)c1cc2c([nH]cc2CCN2C(=O)c3c(cccc3)C2=O)cc1

InChI:

InChI=1/C25H20N2O3/c28-24-20-8-4-5-9-21(20)25(29)27(24)13-12-18-15-26-23-11-10-19(14-22(18)23)30-16-17-6-2-1-3-7-17/h1-11,14-15,26H,12-13,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8495 kcal/mol

Physical Properties
Molecular Weight: 396.446 g/mol	logS: -5.87228	SlogP: 4.85197	Reactive groups: 0

Topological Properties
Globularity: 0.0313763	Sterimol/B1: 2.45854	Sterimol/B2: 3.58776	Sterimol/B3: 3.66502
Sterimol/B4: 10.4048	Sterimol/L: 18.631

Surface and Volume Properties
Accessible surface: 692.499	Positive charged surface: 387.284	Negative charged surface: 300.935	Volume: 382.5
Hydrophobic surface: 562.421	Hydrophilic surface: 130.078

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: 0

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Ions/Tautomers related molecules: no related molecules available.