MMsINC Database Search


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MMsINC code: MMs01607298

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O=C1N(Cc2ccc(cc2)-c2ccccc2)C(=O)NC12CCCC2

InChI:

InChI=1/C20H20N2O2/c23-18-20(12-4-5-13-20)21-19(24)22(18)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2655 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -5.18469	SlogP: 3.9846	Reactive groups: 0

Topological Properties
Globularity: 0.0855382	Sterimol/B1: 3.03812	Sterimol/B2: 3.11748	Sterimol/B3: 4.57786
Sterimol/B4: 5.90847	Sterimol/L: 17.2338

Surface and Volume Properties
Accessible surface: 569.72	Positive charged surface: 328.861	Negative charged surface: 229.787	Volume: 315.375
Hydrophobic surface: 481.641	Hydrophilic surface: 88.079

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.