MMsINC Database Search


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MMsINC code: MMs02877223

Type: Neutral
Formula: C₁₉H₃₀N₂O₂

SMILES:

O=C(N(CCCC)CCCC)c1cc(NC(=O)CCC)ccc1

InChI:

InChI=1/C19H30N2O2/c1-4-7-13-21(14-8-5-2)19(23)16-11-9-12-17(15-16)20-18(22)10-6-3/h9,11-12,15H,4-8,10,13-14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5018 kcal/mol

Physical Properties
Molecular Weight: 318.461 g/mol	logS: -4.43986	SlogP: 4.4676	Reactive groups: 0

Topological Properties
Globularity: 0.0447342	Sterimol/B1: 2.4155	Sterimol/B2: 4.41324	Sterimol/B3: 5.7881
Sterimol/B4: 6.1473	Sterimol/L: 19.2403

Surface and Volume Properties
Accessible surface: 630.606	Positive charged surface: 443.159	Negative charged surface: 187.447	Volume: 348.5
Hydrophobic surface: 502.739	Hydrophilic surface: 127.867

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.