MMsINC Database Search


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MMsINC code: MMs00630788

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(N(Cc1ccccc1)C)c1cc(ccc1C)C

InChI:

InChI=1/C17H19NO/c1-13-9-10-14(2)16(11-13)17(19)18(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.777 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -4.14076	SlogP: 3.84204	Reactive groups: 0

Topological Properties
Globularity: 0.101921	Sterimol/B1: 2.89105	Sterimol/B2: 3.40933	Sterimol/B3: 4.10088
Sterimol/B4: 6.40979	Sterimol/L: 13.9915

Surface and Volume Properties
Accessible surface: 491.394	Positive charged surface: 310.933	Negative charged surface: 180.461	Volume: 272.375
Hydrophobic surface: 462.012	Hydrophilic surface: 29.382

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.